Crystallography Open Database

Information card for entry 4117664

Preview

Coordinates	4117664.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C84 H63 In2 Mn2 N3 O21
Calculated formula	C84 H38 In2 Mn2 N3 O21
Title of publication	Development of Composite Inorganic Building Blocks for MOFs
Authors of publication	Shou-Tian Zheng; Tao Wu; Chengtsung Chou; Addis Fuhr; Pingyun Feng; Xianhui Bu
Journal of publication	Journal of the American Chemical Society
Year of publication	2012
Journal volume	134
Pages of publication	4517 - 4520
a	36.4998 ± 0.0004 Å
b	36.4998 ± 0.0004 Å
c	24.1865 ± 0.0007 Å
α	90°
β	90°
γ	120°
Cell volume	27905.2 ± 0.9 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.074
Residual factor for significantly intense reflections	0.066
Weighted residual factors for significantly intense reflections	0.2029
Weighted residual factors for all reflections included in the refinement	0.2078
Goodness-of-fit parameter for all reflections included in the refinement	1.063
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
178947 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/76.	4117664.cif
74785	2013-03-03	cif/ Adding structures of 4117664 via cif-deposit CGI script.	4117664.cif