Crystallography Open Database

Information card for entry 4328716

Preview

Coordinates	4328716.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H40 Cu5 I5 N24
Calculated formula	C40 H40 Cu5 I5 N24
Title of publication	Structural Diversity in Coordination Self-Assembled Networks of a Multimodal Ligand Azacalix[4]pyrazine
Authors of publication	Jin-Cheng Wu; Liang Zhao; De-Xian Wang; Mei-Xiang Wang
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	3860 - 3867
a	24.142 ± 0.002 Å
b	35.78 ± 0.007 Å
c	9.209 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	7954.7 ± 1.9 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 2 K
Number of distinct elements	5
Space group number	59
Hermann-Mauguin space group symbol	P m m n :2
Hall space group symbol	-P 2ab 2a
Residual factor for all reflections	0.094
Residual factor for significantly intense reflections	0.0729
Weighted residual factors for significantly intense reflections	0.193
Weighted residual factors for all reflections included in the refinement	0.2069
Goodness-of-fit parameter for all reflections included in the refinement	1.04
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179390 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/87.	4328716.cif
77710	2013-03-29	cif/ Adding structures of 4328716 via cif-deposit CGI script.	4328716.cif