Crystallography Open Database

Information card for entry 4343312

Preview

Coordinates	4343312.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34.5 H29 Cl Cu4 I4 N2 P2
Calculated formula	C34.5 H29 Cl Cu4 I4 N2 P2
Title of publication	Subtle Modulation of Cu4X4L2 Phosphine Cluster Cores Leads to Changes in Luminescence.
Authors of publication	Chen, Kelly; Shearer, Jason; Catalano, Vincent J.
Journal of publication	Inorganic chemistry
Year of publication	2015
Journal volume	54
Journal issue	13
Pages of publication	6245 - 6256
a	36.414 ± 0.003 Å
b	14.0071 ± 0.0012 Å
c	16.0994 ± 0.0013 Å
α	90°
β	108.94 ± 0.001°
γ	90°
Cell volume	7767 ± 1.1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	99.65 K
Number of distinct elements	7
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	0.075
Residual factor for significantly intense reflections	0.052
Weighted residual factors for significantly intense reflections	0.1572
Weighted residual factors for all reflections included in the refinement	0.168
Goodness-of-fit parameter for all reflections included in the refinement	1
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
176429 (current)	2016-02-13	cif/ (antanas@kurmis) Replacing _cod_chemical_formula_sum_orig tag with _cod_original_formula_sum tag in multiple entries since the replaced tag is deprecated according to the COD CIF dictionary.	4343312.cif
154597	2015-09-06	cif/ Updating files of 4343305, 4343306, 4343307, 4343308, 4343309, 4343310, 4343311, 4343312 Original log message: Adding full bibliography for 4343305--4343312.cif.	4343312.cif
139130	2015-06-13	cif/ Adding structures of 4343305, 4343306, 4343307, 4343308, 4343309, 4343310, 4343311, 4343312 via cif-deposit CGI script.	4343312.cif