Crystallography Open Database

Information card for entry 4300831

Preview

Coordinates	4300831.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H22 Fe2 N2 O15 P4
Calculated formula	C10 H22 Fe2 N2 O15 P4
Title of publication	Field-Induced Magnetic Transitions in Metal Phosphonates with Ladderlike Chain Structures: (NH3C6H4NH3)M2(hedpH)2·H2O [M = Fe, Co, Mn, Zn; hedp = C(CH3)(OH)(PO3)2]
Authors of publication	Yin, Ping; Gao, Song; Wang, Zhe-Ming; Yan, Chun-Hua; Zheng, Li-Min; Xin, Xin-Quan
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Journal issue	8
Pages of publication	2761 - 2765
a	5.5222 ± 0.0011 Å
b	12.403 ± 0.003 Å
c	15.454 ± 0.003 Å
α	87.71 ± 0.03°
β	89.57 ± 0.03°
γ	78.1 ± 0.03°
Cell volume	1034.9 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0737
Residual factor for significantly intense reflections	0.0387
Weighted residual factors for significantly intense reflections	0.0787
Weighted residual factors for all reflections included in the refinement	0.0883
Goodness-of-fit parameter for all reflections included in the refinement	0.991
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
210169 (current)	2018-08-26	cif/4/30/ Updating bibliography in entries 4300294-4300297, 4300831-4300834. Marking entries 4300294-4300297 as duplicates of entries 4300831-4300834.	4300831.cif
179046	2016-03-22	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/08.	4300831.cif
129439	2015-01-07	cod/ (robertas@burundukas) Correcting values of _exptl_crystal_density_meas and _exptl_crystal_density_method data items: codsql "select codid from validation where message like '%\\'_exptl_crystal_density_meas\\' value \"not measured\" is %'" -NB \ \| codid2file \ \| xargs perl -i -pe "s/_exptl_crystal_density_meas\\s+'not +measured'/_exptl_crystal_density_meas ?/i; \ s/_exptl_crystal_density_method\\s+('not +measured'\|\\?\|none)/_exptl_crystal_density_method ./i"	4300831.cif
120081	2014-07-11	Adding DOIs to range 4/30 structures.	4300831.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4300831.cif
1523	2010-09-25	cif/{1,4} Updating unambiguously identified Inorg. Chem. 2005 structures from the recent Web deposition. Corrdinates of the sructures are not changed, only the bibliograpy and crystallographic information has been updated.	4300831.cif
966	2010-01-30	cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated.	4300831.cif
19	2008-01-26	Changing all end-of-line codes from DOS style to UNIX style in all COD CIF files, for more convenient processing: In the cod/cif/ directory: ff \*.cif \| xargs perl -i -pe 's/\r\n/\n/'	4300831.cif
14	2008-01-13	Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files.	4300831.cif
13	2008-01-13	Setting the svn:keywords property to "Author Date Revision URL Id" for all CIF files in the cod/cif directory.	4300831.cif
1	2007-11-30	Adding all .cif files from the COD, downloaded in a Cod.zip file on 2007.02.07 (and the same Cod.zip is downloadable today, on 2007.11.29)	4300831.cif