Crystallography Open Database

Information card for entry 7112065

7112064 << 7112065 >> 7112066

Preview

Coordinates	7112065.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	crmpp0214
Formula	C48 H45 Cl N4 O2 Zr
Calculated formula	C48 H45 Cl N4 O2 Zr
Title of publication	Synthesis, structure and reactivity of group 4 corrole complexes
Authors of publication	Rosa Padilla; Heather L. Buckley; Ashleigh L. Ward; John Arnold
Journal of publication	Chem.Commun.
Year of publication	2014
Journal volume	50
Pages of publication	2922
a	12.6629 ± 0.0009 Å
b	14.2309 ± 0.001 Å
c	14.4202 ± 0.0011 Å
α	62.452 ± 0.004°
β	66.032 ± 0.004°
γ	88.472 ± 0.004°
Cell volume	2063.2 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0838
Residual factor for significantly intense reflections	0.0583
Weighted residual factors for significantly intense reflections	0.1244
Weighted residual factors for all reflections included in the refinement	0.1354
Goodness-of-fit parameter for all reflections included in the refinement	1.116
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
301857 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 7/11/ Each referenced PubChem compound corresponds to the full crystal structure.	7112065.cif
180234	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/20.	7112065.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7112065.cif
103766	2014-03-07	cif/ Adding structures of 7112062, 7112063, 7112064, 7112065 via cif-deposit CGI script.	7112065.cif