Crystallography Open Database

Information card for entry 4345757

Preview

Coordinates	4345757.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C63 H78 B2 Cu10 N24 S6 W2
Calculated formula	C63 H78 B2 Cu10 N24 S6 W2
Title of publication	Tungsten(VI)-Copper(I)-Sulfur Cluster-Supported Metal-Organic Frameworks Bridged by in Situ Click-Formed Tetrazolate Ligands.
Authors of publication	Chen, Qiu-Fang; Zhao, Xin; Liu, Quan; Jia, Ji-Dong; Qiu, Xiao-Ting; Song, Ying-Lin; Young, David James; Zhang, Wen-Hua; Lang, Jian-Ping
Journal of publication	Inorganic chemistry
Year of publication	2017
Journal volume	56
Journal issue	10
Pages of publication	5669 - 5679
a	10.255 ± 0.002 Å
b	15.408 ± 0.003 Å
c	15.654 ± 0.003 Å
α	71.9 ± 0.03°
β	70.88 ± 0.03°
γ	70.56 ± 0.03°
Cell volume	2146.6 ± 0.9 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.134
Residual factor for significantly intense reflections	0.0826
Weighted residual factors for significantly intense reflections	0.0961
Weighted residual factors for all reflections included in the refinement	0.1052
Goodness-of-fit parameter for all reflections included in the refinement	1.1
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
197396 (current)	2017-06-05	cif/ Updating files of 4345750, 4345751, 4345752, 4345753, 4345754, 4345755, 4345756, 4345757 Original log message: Adding full bibliography for 4345750--4345757.cif.	4345757.cif
195785	2017-04-27	cif/ Adding structures of 4345750, 4345751, 4345752, 4345753, 4345754, 4345755, 4345756, 4345757 via cif-deposit CGI script.	4345757.cif