Crystallography Open Database

Information card for entry 7054071

Preview

Coordinates	7054071.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H25 Mn2 N O9
Calculated formula	C16 H25 Mn2 N O9
Title of publication	Metal‒organic frameworks constructed from flexible ditopic ligands: conformational diversity of an aliphatic ligand
Authors of publication	Kim, Tae Kyung; Lee, Kyung Joo; Choi, Min; Park, Noejung; Moon, Dohyun; Moon, Hoi Ri
Journal of publication	New Journal of Chemistry
Year of publication	2013
Journal volume	37
Journal issue	12
Pages of publication	4130
a	8.947 ± 0.0018 Å
b	20.874 ± 0.004 Å
c	10.471 ± 0.002 Å
α	90°
β	100.02 ± 0.03°
γ	90°
Cell volume	1925.7 ± 0.7 Å³
Cell temperature	95 ± 2 K
Ambient diffraction temperature	95 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0457
Residual factor for significantly intense reflections	0.0453
Weighted residual factors for significantly intense reflections	0.1172
Weighted residual factors for all reflections included in the refinement	0.1174
Goodness-of-fit parameter for all reflections included in the refinement	1.115
Diffraction radiation wavelength	0.75001 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180094 (current)	2016-03-26	cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/40.	7054071.cif
110380	2014-04-18	cif/ Adding structures of 7054071, 7054072, 7054073 via cif-deposit CGI script.	7054071.cif