Crystallography Open Database

Information card for entry 4309027

Preview

Coordinates	4309027.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H18 Cl2 N4 O2
Calculated formula	C24 H18 Cl2 N4 O2
SMILES	O.c12ccccc1c1cc[nH+]c3c1c(n2)c1[nH+]ccc2c4c(cccc4)nc3c12.[Cl-].O.[Cl-]
Title of publication	Mononuclear and Dinuclear Complexes of Isoeilatin
Authors of publication	Sheba D. Bergman; Israel Goldberg; Andrea Barbieri; Moshe Kol
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Pages of publication	2513 - 2523
a	7.588 ± 0.0003 Å
b	8.025 ± 0.0003 Å
c	8.998 ± 0.0004 Å
α	81.321 ± 0.003°
β	78.132 ± 0.002°
γ	73.842 ± 0.0018°
Cell volume	512.46 ± 0.04 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0544
Residual factor for significantly intense reflections	0.0439
Weighted residual factors for significantly intense reflections	0.11
Weighted residual factors for all reflections included in the refinement	0.1175
Goodness-of-fit parameter for all reflections included in the refinement	1.079
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
179128 (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 4/30/90.	4309027.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4309027.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4309027.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).	4309027.cif