Crystallography Open Database

Information card for entry 4308971

Preview

Coordinates	4308971.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Cd(L1)(NO3)2
Formula	C21 H22 Cd Cl2 N4 O6 S2
Calculated formula	C21 H20 Cd Cl2 N4 O6 S2
Title of publication	Flexible Ligands and Structural Diversity: Isomerism in Cd(NO3)2 Coordination Polymers
Authors of publication	David B. Cordes; Andrew S. Bailey; Paula L. Caradoc-Davies; Duncan H. Gregory; Lyall R. Hanton; Kitty Lee; Mark D. Spicer
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Pages of publication	2544 - 2552
a	9.7818 ± 0.0002 Å
b	12.0119 ± 0.0002 Å
c	12.6382 ± 0.0004 Å
α	102.076 ± 0.001°
β	91.909 ± 0.001°
γ	112.308 ± 0.001°
Cell volume	1332.95 ± 0.06 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0618
Residual factor for significantly intense reflections	0.0384
Weighted residual factors for significantly intense reflections	0.0826
Weighted residual factors for all reflections included in the refinement	0.0913
Goodness-of-fit parameter for all reflections included in the refinement	1.024
Diffraction radiation probe	x-ray
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4308971.cif
120081	2014-07-11	Adding DOIs to range 4/30 structures.	4308971.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4308971.cif
1526	2010-09-26	cif/4/ Adding new CIFs from Inorg. Chem. 2005 deposited via Web deposition site to the COD test database (and transferede to the main COD database after renaming).	4308971.cif