Crystallography Open Database

Information card for entry 4503092

Preview

Coordinates	4503092.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H54 Cd N6 S2
Calculated formula	C50 H54 Cd N6 S2
Title of publication	Three-Dimensional Metal−Organic Network Architecture with Large π-Conjugated Indolocarbazole Derivative: Synthesis, Supramolecular Structure, and Highly Enhanced Fluorescence
Authors of publication	Liu, Hui-Jun; Tao, Xu-Tang; Yang, Jia-Xiang; Yan, Yun-Xing; Ren, Yan; Zhao, Hua-Ping; Xin, Qian; Yu, Wen-Tao; Jiang, Min-Hua
Journal of publication	Crystal Growth & Design
Year of publication	2008
Journal volume	8
Journal issue	1
Pages of publication	259
a	11.4021 ± 0.0002 Å
b	32.4814 ± 0.0006 Å
c	26.1045 ± 0.0006 Å
α	90°
β	91.164 ± 0.001°
γ	90°
Cell volume	9666 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
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	0.2051
Residual factor for significantly intense reflections	0.0971
Weighted residual factors for significantly intense reflections	0.2735
Weighted residual factors for all reflections included in the refinement	0.3395
Goodness-of-fit parameter for all reflections included in the refinement	0.934
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
179561 (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 4/50/30.	4503092.cif
120677	2014-07-23	cod/ (saulius@koala.ibt.lt) Adding 4906 DOIs identified by CodBot.	4503092.cif
41348	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4503092 via cif-deposit CGI script.	4503092.cif