Crystallography Open Database

Information card for entry 4501843

Preview

Coordinates	4501843.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H28 Mn2 N8 O9
Calculated formula	C36 H28 Mn2 N8 O9
Title of publication	Highly Connected Three-Dimensional Metal−Organic Frameworks Based on Polynuclear Secondary Building Units
Authors of publication	Su, Zhi; Chen, Shui-Sheng; Fan, Jian; Chen, Man-Sheng; Zhao, Yue; Sun, Wei-Yin
Journal of publication	Crystal Growth & Design
Year of publication	2010
Journal volume	10
Journal issue	8
Pages of publication	3675
a	12.0613 ± 0.0014 Å
b	17.8712 ± 0.0016 Å
c	16.316 ± 0.0012 Å
α	90°
β	91.555 ± 0.002°
γ	90°
Cell volume	3515.6 ± 0.6 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	0.04
Residual factor for significantly intense reflections	0.0367
Weighted residual factors for significantly intense reflections	0.1072
Weighted residual factors for all reflections included in the refinement	0.1109
Goodness-of-fit parameter for all reflections included in the refinement	0.764
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
179549 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/18.	4501843.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4501843.cif
36133	2012-03-01	../uploads/cif-deposit/cod/cif Adding structures of 4501840, 4501841, 4501842, 4501843 via cif-deposit CGI script.	4501843.cif