Crystallography Open Database

Information card for entry 4322204

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Structure parameters

Formula	C80 H77 N6 O Zr
Calculated formula	C80 H77 N6 O Zr
Title of publication	Synthesis, Structure, and Reactivity of Zirconium and Hafnium Imido Metalloporphyrins
Authors of publication	Joseph L. Thorman; Ilia A. Guzei; Victor G. Young; L. Keith Woo
Journal of publication	Inorganic Chemistry
Year of publication	1999
Journal volume	38
Pages of publication	3814 - 3824
a	12.9237 ± 0.0008 Å
b	16.3912 ± 0.001 Å
c	16.659 ± 0.001 Å
α	97.137 ± 0.001°
β	105.196 ± 0.001°
γ	100.532 ± 0.001°
Cell volume	3292.6 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0785
Residual factor for significantly intense reflections	0.0547
Weighted residual factors for significantly intense reflections	0.1457
Weighted residual factors for all reflections included in the refinement	0.158
Goodness-of-fit parameter for all reflections included in the refinement	0.995
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
301838 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 4/32/ Each referenced PubChem compound corresponds to the full crystal structure.	4322204.cif
179325	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/22.	4322204.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4322204.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4322204.cif
20465	2011-06-09	../uploads/cif-deposit/cod/cif Adding structures of 4322204 via cif-deposit CGI script.	4322204.cif