Crystallography Open Database

Information card for entry 4503248

Preview

Coordinates	4503248.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H36 Cu3 N3 S4 W
Calculated formula	C18 H36 Cu3 N3 S4 W
Title of publication	A Single-Bridge Strategy for Synthesis of a 3-D Heterobimetallic Cluster with a Heavily Distorted Diamondoid Topology and Enhanced Third-Order Nonlinear Optical Properties
Authors of publication	Zhang, Jinfang; Song, Yinglin; Yang, Junyi; Humphrey, Mark G.; Zhang, Chi
Journal of publication	Crystal Growth & Design
Year of publication	2008
Journal volume	8
Journal issue	2
Pages of publication	387
a	10.9115 ± 0.0015 Å
b	10.9115 ± 0.0015 Å
c	23.638 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	2814.4 ± 0.8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	96
Hermann-Mauguin space group symbol	P 43 21 2
Hall space group symbol	P 4nw 2abw
Residual factor for all reflections	0.1274
Residual factor for significantly intense reflections	0.0641
Weighted residual factors for significantly intense reflections	0.122
Weighted residual factors for all reflections included in the refinement	0.1516
Goodness-of-fit parameter for all reflections included in the refinement	1.026
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4503248.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4503248.cif
41442	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4503248 via cif-deposit CGI script.	4503248.cif