Crystallography Open Database

Information card for entry 8107446

Preview

Coordinates	8107446.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C82 H48 Cd2 N4 O8
Calculated formula	C82 H48 Cd2 N4 O8
Title of publication	Crystal structure of bis(μ2-1-pyrenecarboxylato-κ3 O,O′:O′)-bis(1-pyrenecarboxylato-κ2 O,O′)-(benzimidazole-κ1 N)dicadmium(II), C82H48Cd2N4O8
Authors of publication	Gao, Peng-Fu; Li, Ting; Fu, Hong-Ru
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2023
Journal volume	238
Journal issue	2
Pages of publication	377 - 379
a	7.6031 ± 0.0003 Å
b	10.6963 ± 0.0003 Å
c	19.0717 ± 0.0007 Å
α	98.967 ± 0.003°
β	99.207 ± 0.003°
γ	95.921 ± 0.003°
Cell volume	1499.21 ± 0.09 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0535
Residual factor for significantly intense reflections	0.0396
Weighted residual factors for significantly intense reflections	0.076
Weighted residual factors for all reflections included in the refinement	0.0802
Goodness-of-fit parameter for all reflections included in the refinement	1.022
Diffraction radiation probe	x-ray
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
285112 (current)	2023-07-10	cif/ Adding structures of 8107446 via cif-deposit CGI script.	8107446.cif