Crystallography Open Database

Information card for entry 1513870

Preview

Coordinates	1513870.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H57 Cr Cu I N3 O0.75 P3
Calculated formula	C48 H57 Cr Cu I N3 O0.75 P3
Title of publication	A series of C3-symmetric heterobimetallic Cr‒M (M = Fe, Co and Cu) complexes
Authors of publication	Kuppuswamy, Subramaniam; Bezpalko, Mark W.; Powers, Tamara M.; Wilding, Matthew J. T.; Brozek, Carl K.; Foxman, Bruce M.; Thomas, Christine M.
Journal of publication	Chemical Science
Year of publication	2014
Journal volume	5
Journal issue	4
Pages of publication	1617
a	10.7036 ± 0.0003 Å
b	22.2854 ± 0.0006 Å
c	22.5333 ± 0.0006 Å
α	61.763 ± 0.001°
β	81.327 ± 0.001°
γ	87.515 ± 0.001°
Cell volume	4678.8 ± 0.2 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0729
Residual factor for significantly intense reflections	0.0533
Weighted residual factors for all reflections	0.1193
Weighted residual factors for significantly intense reflections	0.1142
Weighted residual factors for all reflections included in the refinement	0.1193
Goodness-of-fit parameter for all reflections included in the refinement	1.0135
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	1513870.cif
107094	2014-03-17	cif/ Adding structures of 1513865, 1513866, 1513867, 1513868, 1513869, 1513870 via cif-deposit CGI script.	1513870.cif