Crystallography Open Database

Information card for entry 4507074

Preview

Coordinates	4507074.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C76 H84 Cd3 N6 O32 Si2
Calculated formula	C76 H70 Cd3 N6 O32 Si2
Title of publication	Structural Diversity and Properties of Coordination Polymers Built from a Rigid Octadentenate Carboxylic Acid
Authors of publication	Xue, Yun-Shan; Jin, Feng-Yan; Zhou, Lian; Liu, Mei-Pin; Xu, Yan; Du, Hong-Bin; Fang, Min; You, Xiao-Zeng
Journal of publication	Crystal Growth & Design
Year of publication	2012
Journal volume	12
Journal issue	12
Pages of publication	6158
a	23.179 ± 0.002 Å
b	19.0074 ± 0.0019 Å
c	26.112 ± 0.003 Å
α	90°
β	99.417 ± 0.002°
γ	90°
Cell volume	11349 ± 2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
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	0.0781
Residual factor for significantly intense reflections	0.0587
Weighted residual factors for significantly intense reflections	0.1634
Weighted residual factors for all reflections included in the refinement	0.1701
Goodness-of-fit parameter for all reflections included in the refinement	1.119
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
179606 (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 4/50/70.	4507074.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4507074.cif
71951	2013-01-21	cif/ Adding structures of 4507072, 4507073, 4507074 via cif-deposit CGI script.	4507074.cif