Crystallography Open Database

Information card for entry 4330272

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Structure parameters

Formula	C46.5 H104 N6 O2 Os2 P4
Calculated formula	C46.5 H104 N6 O2 Os2 P4
Title of publication	Reactions of an Osmium-Hexahydride Complex with Cytosine, Deoxycytidine, and Cytidine: The Importance of the Minor Tautomers
Authors of publication	Miguel A. Esteruelas; Jorge García-Raboso; Montserrat Oliván
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	9522 - 9528
a	11.98 ± 0.0011 Å
b	16.536 ± 0.0015 Å
c	16.9391 ± 0.0016 Å
α	93.022 ± 0.001°
β	98.477 ± 0.001°
γ	111.088 ± 0.001°
Cell volume	3076.3 ± 0.5 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	0.1241
Residual factor for significantly intense reflections	0.0499
Weighted residual factors for significantly intense reflections	0.0869
Weighted residual factors for all reflections included in the refinement	0.1025
Goodness-of-fit parameter for all reflections included in the refinement	0.825
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
301839 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 4/33/ Each referenced PubChem compound corresponds to the full crystal structure.	4330272.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.	4330272.cif
79523	2013-04-05	cif/ Adding structures of 4330272 via cif-deposit CGI script.	4330272.cif