Crystallography Open Database

Information card for entry 7039982

Preview

Coordinates	7039982.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C114 H84 Cl4 Cu4 N24 O0
Calculated formula	C114 H84 Cl4 Cu4 N24
Title of publication	A visible light-driven photocatalyst of a stable metal-organic framework based on Cu4Cl clusters and TIPE spacers.
Authors of publication	Chen, He; Liu, Ping-Xiao; Xu, Ning; Meng, Xing; Wang, Hai-Ning; Zhou, Zi-Yan
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	34
Pages of publication	13477 - 13482
a	16.93 ± 0.005 Å
b	16.93 ± 0.005 Å
c	16.93 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	4853 ± 2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	201
Hermann-Mauguin space group symbol	P n -3 :2
Hall space group symbol	-P 2ab 2bc 3
Residual factor for all reflections	0.0919
Residual factor for significantly intense reflections	0.0645
Weighted residual factors for significantly intense reflections	0.1862
Weighted residual factors for all reflections included in the refinement	0.2095
Goodness-of-fit parameter for all reflections included in the refinement	1.077
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
186410 (current)	2016-09-10	cif/ Updating files of 7039982 Original log message: Adding full bibliography for 7039982.cif.	7039982.cif
184576	2016-07-21	cif/ Adding structures of 7039982 via cif-deposit CGI script.	7039982.cif