Crystallography Open Database

Information card for entry 4334991

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Structure parameters

Formula	C43.5 H27 Co F18 K N6
Calculated formula	C43.5 H27 Co F18 K N6
Title of publication	Correction to 2,2'-Pyridylpyrrolide Ligand Redistribution Following Reduction
Authors of publication	Keith Searles; Atanu K. Das; René W. Buell; Maren Pink; Chun-Hsing Chen; Kuntal Pal; David Gene Morgan; Daniel J. Mindiola; Kenneth G. Caulton
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	6231 - 6231
a	10.375 ± 0.003 Å
b	12.143 ± 0.003 Å
c	18.907 ± 0.005 Å
α	104.836 ± 0.004°
β	93.786 ± 0.004°
γ	104.228 ± 0.005°
Cell volume	2210.7 ± 1 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.1315
Residual factor for significantly intense reflections	0.0641
Weighted residual factors for significantly intense reflections	0.1482
Weighted residual factors for all reflections included in the refinement	0.1818
Goodness-of-fit parameter for all reflections included in the refinement	1.028
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	4334991.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.	4334991.cif
100877	2014-02-07	cif/ Adding structures of 4334991 via cif-deposit CGI script.	4334991.cif