Crystallography Open Database

Information card for entry 4308900

Preview

Coordinates	4308900.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H12 B2 Cl Cu F8 N4
Calculated formula	C16 H12 B2 Cl Cu F8 N4
Title of publication	Solution and Solid-State Variation of Cupric Phenanthroline Complexes
Authors of publication	Jason A. Aligo; Laura Smith; Judith L. Eglin; Laura E. Pence
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Pages of publication	4001 - 4007
a	11.3592 ± 0.0013 Å
b	13.2634 ± 0.0015 Å
c	6.9315 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	1044.3 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	31
Hermann-Mauguin space group symbol	P m n 21
Hall space group symbol	P 2ac -2
Residual factor for all reflections	0.0744
Residual factor for significantly intense reflections	0.0517
Weighted residual factors for significantly intense reflections	0.1419
Weighted residual factors for all reflections included in the refinement	0.1574
Goodness-of-fit parameter for all reflections included in the refinement	0.972
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
179127 (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 4/30/89.	4308900.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4308900.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4308900.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).	4308900.cif