Crystallography Open Database

Information card for entry 7111053

Preview

Coordinates	7111053.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H84 Br Cu8 F6 O12 P7 Se12
Calculated formula	C36.58 H80 Br Cu8 F6 O11.42 P7 Se12
Title of publication	A novel nonacoordinate bridging selenido ligand in a tricapped trigonal-prismatic geometry. X-Ray structure of Cu11(μ9-Se)(μ3-Br)3[Se2P(OPri)2]6
Authors of publication	Liu, C. W.; Hung, Chiu-Mine; Chen, Hsiu-Chih; Wang, Ju-Chung; Keng, Tai-Chiun; Guo, Kermin
Journal of publication	Chemical Communications
Year of publication	2000
Journal issue	19
Pages of publication	1897
a	24.345 ± 0.005 Å
b	13.151 ± 0.003 Å
c	24.991 ± 0.005 Å
α	90°
β	91.34 ± 0.03°
γ	90°
Cell volume	7999 ± 3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	8
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	0.0647
Residual factor for significantly intense reflections	0.0502
Weighted residual factors for significantly intense reflections	0.1096
Weighted residual factors for all reflections included in the refinement	0.1189
Goodness-of-fit parameter for all reflections included in the refinement	1.126
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
180224 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/10.	7111053.cif
96187	2014-01-28	cif/ Adding structures of 7111052, 7111053 via cif-deposit CGI script.	7111053.cif