Crystallography Open Database

Information card for entry 4310050

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Structure parameters

Formula	C74.5 H105 B2 Cl N2 O13 P4 Ru
Calculated formula	C74.5 H105 B2 Cl N2 O13 P4 Ru
Title of publication	Tautomerization of Methyldiazene to Formaldehyde-Hydrazone in Ruthenium and Osmium Complexes
Authors of publication	Gabriele Albertin; Stefano Antoniutti; Alessia Bacchi; Fabiola De Marchi; Giancarlo Pelizzi
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Pages of publication	8947 - 8954
a	22.239 ± 0.001 Å
b	19.041 ± 0.001 Å
c	19.538 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	8273.4 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	8
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.0702
Residual factor for significantly intense reflections	0.0465
Weighted residual factors for significantly intense reflections	0.1137
Weighted residual factors for all reflections included in the refinement	0.1216
Goodness-of-fit parameter for all reflections included in the refinement	0.957
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301837 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 4/31/ Each referenced PubChem compound corresponds to the full crystal structure.	4310050.cif
176467	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4310050.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4310050.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4310050.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).	4310050.cif