Crystallography Open Database

Information card for entry 7212479

Preview

Coordinates	7212479.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H33 Mn N3 O5
Calculated formula	C27 H33 Mn N3 O5
Title of publication	Structural diversity in a series of metal‒organic frameworks (MOFs) composed of divalent transition metals, 4,4′-bipyridine and a flexible carboxylic acid
Authors of publication	Pachfule, Pradip; Panda, Tamas; Dey, Chandan; Banerjee, Rahul
Journal of publication	CrystEngComm
Year of publication	2010
Journal volume	12
Journal issue	8
Pages of publication	2381
a	8.8816 ± 0.0016 Å
b	10.2469 ± 0.0018 Å
c	15.551 ± 0.003 Å
α	71.53 ± 0.003°
β	89.774 ± 0.003°
γ	74.903 ± 0.003°
Cell volume	1291.3 ± 0.4 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 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	0.0932
Residual factor for significantly intense reflections	0.0552
Weighted residual factors for significantly intense reflections	0.1111
Weighted residual factors for all reflections included in the refinement	0.134
Goodness-of-fit parameter for all reflections included in the refinement	0.948
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
180455 (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 7/21/24.	7212479.cif
93046	2014-01-12	cif/ Adding structures of 7212477, 7212478, 7212479, 7212480, 7212481 via cif-deposit CGI script.	7212479.cif