Crystallography Open Database

Information card for entry 4333715

Preview

Coordinates	4333715.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C98 H84 Cl0 Cu4 F12 N10 O0 P6
Calculated formula	C98 H84 Cu4 F12 N10 P6
Title of publication	Synthesis of Small Tetranuclear Cu(I) Metallacycles Based on Bridging Pseudohalogenide Ions
Authors of publication	Volodymyr Vreshch; Brigitte Nohra; Christophe Lescop; Régis Réau
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	1496 - 1503
a	13.325 ± 0.0006 Å
b	20.615 ± 0.0011 Å
c	18.486 ± 0.0009 Å
α	90°
β	100.491 ± 0.002°
γ	90°
Cell volume	4993.1 ± 0.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	8
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0688
Residual factor for significantly intense reflections	0.0599
Weighted residual factors for significantly intense reflections	0.1745
Weighted residual factors for all reflections included in the refinement	0.1811
Goodness-of-fit parameter for all reflections included in the refinement	1.063
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179440 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/37.	4333715.cif
99519	2014-01-31	cif/ Adding structures of 4333715 via cif-deposit CGI script.	4333715.cif