Crystallography Open Database

Information card for entry 8103271

Preview

Coordinates	8103271.cif

Structure parameters

Formula	C63 H43.5 Br4 Cu2 N14.5 O2 P2
Calculated formula	C63 H43.5 Br4 Cu2 N14.5 O2 P2
Title of publication	Crystal structure of (m-(bis(diphenylphosphino)ethane dioxide-kO,O')bis([2,3-f]-pyrazino-[1,10]phenanthroline-2,3-dicarbonitrile-kN,N')bis(dibromido)dicopper(II) — acetonitrile (1:2.5), [Cu2(C26H24P2O2)(C16H6N6)2Br4] · 2.5CH3CN
Authors of publication	Zhong-Feng Li; Ye-Lan Xiao; Qi-Ming Qiu; Man-Hua Wu; Qiong-Hua Jin; Cun-Lin Zhang
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2012
Journal volume	227
Journal issue	1
Pages of publication	24
a	31.63 ± 0.03 Å
b	9.6802 ± 0.0011 Å
c	24.65 ± 0.002 Å
α	90°
β	119.995 ± 0.002°
γ	90°
Cell volume	6537 ± 6 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1181
Residual factor for significantly intense reflections	0.056
Weighted residual factors for significantly intense reflections	0.1325
Weighted residual factors for all reflections included in the refinement	0.1643
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	No
Has F_obs	No

Version history

Revision	Date	Message	Files
211175 (current)	2018-09-26	cif/ Removing _chemical_name_systematic and _chemical_name_common data items with placeholder values from 513 entries in range 8.	8103271.cif
176466	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8.	8103271.cif
52236	2012-04-09	../uploads/cif-deposit/cod/cif Adding structures of 8103271 via cif-deposit CGI script.	8103271.cif