Crystallography Open Database

Information card for entry 4504965

Preview

Coordinates	4504965.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C92 H88 Cd4 N4 S10
Calculated formula	C92 H85.5 Cd4 N4 S10
Title of publication	Self-Assembly of an Organic Chromophore with Cd−S Nanoclusters: Supramolecular Structures and Enhanced Emissions
Authors of publication	Zhang, Xuanjun; Tian, Yupeng; Jin, Feng; Wu, Jieying; Xie, Yi; Tao, Xutang; Jiang, Minhua
Journal of publication	Crystal Growth & Design
Year of publication	2005
Journal volume	5
Journal issue	2
Pages of publication	565
a	14.193 ± 0.005 Å
b	14.369 ± 0.005 Å
c	23.138 ± 0.008 Å
α	79.651 ± 0.006°
β	88.557 ± 0.006°
γ	75.189 ± 0.006°
Cell volume	4487 ± 3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.2263
Residual factor for significantly intense reflections	0.0534
Weighted residual factors for significantly intense reflections	0.0678
Weighted residual factors for all reflections included in the refinement	0.096
Goodness-of-fit parameter for all reflections included in the refinement	0.653
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
179584 (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 4/50/49.	4504965.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4504965.cif
50082	2012-03-31	../uploads/cif-deposit/cod/cif Adding structures of 4504965 via cif-deposit CGI script.	4504965.cif