Crystallography Open Database

Information card for entry 8103246

Preview

Coordinates	8103246.cif

Structure parameters

Formula	C46 H46 Br2 Cu2 N8 P2
Calculated formula	C46 H46 Br2 Cu2 N8 P2
Title of publication	Crystal structure of bis[(triphenylphospine-?P)(3-amino-5,6-dimethyl-1,2,4-triazine-?N2)(?-bromo)copper(I)], [CuBr(C5H8N4)(PC18H15)]2
Authors of publication	Man-Hua Wu; Rong Wang; Zhong-Feng Li; Ye-Lan Xiao; Qiong-Hua Jin; Cun-Lin Zhang
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2011
Journal volume	226
Journal issue	4
Pages of publication	555
a	9.8813 ± 0.0008 Å
b	10.0739 ± 0.0009 Å
c	13.6497 ± 0.0012 Å
α	95.654 ± 0.001°
β	107.957 ± 0.002°
γ	113.16 ± 0.001°
Cell volume	1150.25 ± 0.17 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 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	0.0607
Residual factor for significantly intense reflections	0.0342
Weighted residual factors for significantly intense reflections	0.0708
Weighted residual factors for all reflections included in the refinement	0.0825
Goodness-of-fit parameter for all reflections included in the refinement	1.008
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.	8103246.cif
176728	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8.	8103246.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8103246.cif
32588	2012-02-09	../uploads/cif-deposit/cod/cif Adding structures of 8103246 via cif-deposit CGI script.	8103246.cif