Crystallography Open Database

Information card for entry 7214722

Preview

Coordinates	7214722.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H38 Mn N6 O15
Calculated formula	C30 H38 Mn N6 O15
Title of publication	Coordination polymer-templated photoinduced [2 + 2] dimerization of pyridine-based derivative
Authors of publication	Qin, Jie; Qin, Na; Geng, Cui-Hong; Ma, Jian-Ping; Liu, Qi-Kui; Wu, Dan; Zhao, Chao-Wei; Dong, Yu-Bin
Journal of publication	CrystEngComm
Year of publication	2012
Journal volume	14
Journal issue	24
Pages of publication	8499
a	9.913 ± 0.002 Å
b	19.061 ± 0.004 Å
c	17.668 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	3338.4 ± 1.2 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.0467
Residual factor for significantly intense reflections	0.0366
Weighted residual factors for significantly intense reflections	0.087
Weighted residual factors for all reflections included in the refinement	0.0921
Goodness-of-fit parameter for all reflections included in the refinement	1.068
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
180478 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/47.	7214722.cif
110955	2014-04-20	cif/ Adding structures of 7214720, 7214721, 7214722, 7214723, 7214724, 7214725, 7214726, 7214727, 7214728, 7214729, 7214730, 7214731 via cif-deposit CGI script.	7214722.cif