Crystallography Open Database

Information card for entry 4501842

Preview

Coordinates	4501842.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H33 Cd3 N8 O12
Calculated formula	C41 H31 Cd3 N8 O12
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	10.936 ± 0.006 Å
b	11.496 ± 0.007 Å
c	17.654 ± 0.01 Å
α	84.706 ± 0.007°
β	74.308 ± 0.002°
γ	69.543 ± 0.007°
Cell volume	2002 ± 2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0358
Residual factor for significantly intense reflections	0.0318
Weighted residual factors for significantly intense reflections	0.0862
Weighted residual factors for all reflections included in the refinement	0.0953
Goodness-of-fit parameter for all reflections included in the refinement	1.057
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.	4501842.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4501842.cif
36133	2012-03-01	../uploads/cif-deposit/cod/cif Adding structures of 4501840, 4501841, 4501842, 4501843 via cif-deposit CGI script.	4501842.cif