Crystallography Open Database

Information card for entry 7212189

Preview

Coordinates	7212189.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H32 Mn3 N4 O14
Calculated formula	C44 H32 Mn3 N4 O14
Title of publication	A trimanganese cluster-based 2D layer framework with facile single-crystal-to-single-crystal transformation to afford a 1D chain structure
Authors of publication	Ma, Cheng-Bing; Hu, Ming-Qiang; Chen, Hui; Wang, Mei; Zhang, Chun-Xia; Chen, Chang-Neng; Liu, Qiu-Tian
Journal of publication	CrystEngComm
Year of publication	2010
Journal volume	12
Journal issue	5
Pages of publication	1467
a	9.782 ± 0.002 Å
b	13.609 ± 0.003 Å
c	17.742 ± 0.003 Å
α	68.476 ± 0.006°
β	82.789 ± 0.007°
γ	71.747 ± 0.005°
Cell volume	2086.5 ± 0.7 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 significantly intense reflections	0.0534
Weighted residual factors for significantly intense reflections	0.1475
Weighted residual factors for all reflections included in the refinement	0.1635
Goodness-of-fit parameter for all reflections included in the refinement	1.006
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
180452 (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 7/21/21.	7212189.cif
92688	2014-01-12	cif/ Adding structures of 7212189, 7212190 via cif-deposit CGI script.	7212189.cif