Crystallography Open Database

Information card for entry 4507732

Preview

Coordinates	4507732.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H29 I N8 O8 Zn2
Calculated formula	C38 H29 I1.0004 N8 O8 Zn2
Title of publication	First Three-Dimensional Self-Penetrating Coordination Polymer Containing Rare (10,3)-d Subnets: Synthesis, Structure, and Properties
Authors of publication	Cao, Li-Hui; Xu, Qing-Qing; Zang, Shuang-Quan; Hou, Hong-Wei; Mak, Thomas C. W.
Journal of publication	Crystal Growth & Design
Year of publication	2013
Journal volume	13
Journal issue	5
Pages of publication	1812
a	13.4377 ± 0.0009 Å
b	17.6945 ± 0.0009 Å
c	16.5172 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	3927.4 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	56
Hermann-Mauguin space group symbol	P c c n
Hall space group symbol	-P 2ab 2ac
Residual factor for all reflections	0.1172
Residual factor for significantly intense reflections	0.0944
Weighted residual factors for significantly intense reflections	0.1923
Weighted residual factors for all reflections included in the refinement	0.2014
Goodness-of-fit parameter for all reflections included in the refinement	1.079
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179613 (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 4/50/77.	4507732.cif
85651	2013-05-07	cif/ Adding structures of 4507732 via cif-deposit CGI script.	4507732.cif