Crystallography Open Database

Information card for entry 7238135

Preview

Coordinates	7238135.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C76 H50 Mn2 N6 O8
Calculated formula	C76 H50 Mn2 N6 O8
Title of publication	Tuning the topologies of MnII complexes with 3-(2-pyridyl)pyrazole and carboxylate ligands by intramolecular hydrogen bonds and the geometries of pendant ligands: crystal structures and magnetic properties
Authors of publication	Zou, Ru-Qiang; Liu, Chun-Sen; Shi, Xue-Song; Bu, Xian-He; Ribas, Joan
Journal of publication	CrystEngComm
Year of publication	2005
Journal volume	7
Journal issue	118
Pages of publication	722
a	13.687 ± 0.004 Å
b	15.018 ± 0.004 Å
c	17.572 ± 0.005 Å
α	82.449 ± 0.005°
β	75.466 ± 0.005°
γ	62.991 ± 0.005°
Cell volume	3114.4 ± 1.5 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	0.1503
Residual factor for significantly intense reflections	0.0576
Weighted residual factors for significantly intense reflections	0.0918
Weighted residual factors for all reflections included in the refinement	0.1175
Goodness-of-fit parameter for all reflections included in the refinement	0.946
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
244077 (current)	2019-11-28	cif/ Adding structures of 7238135, 7238136, 7238137 via cif-deposit CGI script.	7238135.cif