Crystallography Open Database

Information card for entry 7212480

Preview

Coordinates	7212480.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Mn-ADA-2
Formula	C38 H50 Mn N2 O10
Calculated formula	C38 H50 Mn N2 O10
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	23.495 ± 0.002 Å
b	11.6667 ± 0.001 Å
c	13.2885 ± 0.0012 Å
α	90°
β	94.286 ± 0.002°
γ	90°
Cell volume	3632.3 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0786
Residual factor for significantly intense reflections	0.0526
Weighted residual factors for significantly intense reflections	0.1032
Weighted residual factors for all reflections included in the refinement	0.1139
Goodness-of-fit parameter for all reflections included in the refinement	0.945
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.	7212480.cif
93046	2014-01-12	cif/ Adding structures of 7212477, 7212478, 7212479, 7212480, 7212481 via cif-deposit CGI script.	7212480.cif