Crystallography Open Database

Information card for entry 4309124

Preview

Coordinates	4309124.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H52 Cd3 Cl6 N12 O8 P2 S2
Calculated formula	C50 H50 Cd3 Cl6 N12 O8 P2 S2
Title of publication	Synthesis, Structure, and Stereochemistry of Trinuclear Metal Complexes Formed from the Phosphorus-Based Achiral Tripodal Ligand {P(S)[N(Me)NCHC6H4-o-OH]3} (LH3): Luminescent Properties of L2Cd3.2H2O
Authors of publication	Vadapalli Chandrasekhar; Ramachandran Azhakar; Stefano Zacchini; Jamie F. Bickley; Alexander Steiner
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Pages of publication	4608 - 4615
a	21.163 ± 0.004 Å
b	14.845 ± 0.003 Å
c	21.462 ± 0.004 Å
α	90°
β	110.38 ± 0.03°
γ	90°
Cell volume	6321 ± 2 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	8
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	0.0628
Residual factor for significantly intense reflections	0.058
Weighted residual factors for significantly intense reflections	0.1472
Weighted residual factors for all reflections included in the refinement	0.1553
Goodness-of-fit parameter for all reflections included in the refinement	1.099
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
179129 (current)	2016-03-23	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/91.	4309124.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4309124.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4309124.cif
1526	2010-09-26	cif/4/ Adding new CIFs from Inorg. Chem. 2005 deposited via Web deposition site to the COD test database (and transferede to the main COD database after renaming).	4309124.cif