Crystallography Open Database

Information card for entry 4343306

Preview

Coordinates	4343306.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H12 Cl2 Cu2 N2 O0.5 P
Calculated formula	C19 H12 Cl2 Cu2 N2 O0.5 P
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	9.3487 ± 0.0007 Å
b	10.0979 ± 0.0007 Å
c	11.1299 ± 0.0008 Å
α	103.598 ± 0.001°
β	93.237 ± 0.001°
γ	95.76 ± 0.001°
Cell volume	1012.59 ± 0.13 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100.15 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0351
Residual factor for significantly intense reflections	0.0292
Weighted residual factors for significantly intense reflections	0.0726
Weighted residual factors for all reflections included in the refinement	0.0753
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	Yes
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.	4343306.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.	4343306.cif
139130	2015-06-13	cif/ Adding structures of 4343305, 4343306, 4343307, 4343308, 4343309, 4343310, 4343311, 4343312 via cif-deposit CGI script.	4343306.cif