Crystallography Open Database

Information card for entry 7703138

Preview

Coordinates	7703138.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C96 H78 Cl6 Cu6 N12 O6
Calculated formula	C96 H78 Cl6 Cu6 N12 O6
Title of publication	A systematic investigation of structural transformation in a copper pyrazolato system: a case study.
Authors of publication	Chen, Jing-Huo; Wei, Donghui; Yang, Guang; Ma, Jian-Gong; Cheng, Peng
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	4
Pages of publication	1116 - 1123
a	29.0762 ± 0.0006 Å
b	16.6019 ± 0.0004 Å
c	19.2306 ± 0.0005 Å
α	90°
β	100.045 ± 0.002°
γ	90°
Cell volume	9140.7 ± 0.4 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
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	0.0482
Residual factor for significantly intense reflections	0.0421
Weighted residual factors for significantly intense reflections	0.1038
Weighted residual factors for all reflections included in the refinement	0.1084
Goodness-of-fit parameter for all reflections included in the refinement	1.03
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
247718 (current)	2020-02-04	cif/ Updating files of 7703129, 7703130, 7703131, 7703132, 7703133, 7703134, 7703135, 7703136, 7703137, 7703138 Original log message: Adding full bibliography for 7703129--7703138.cif.	7703138.cif
246459	2020-01-03	cif/ Adding structures of 7703129, 7703130, 7703131, 7703132, 7703133, 7703134, 7703135, 7703136, 7703137, 7703138 via cif-deposit CGI script.	7703138.cif