Crystallography Open Database

Information card for entry 7019046

7019045 << 7019046 >> 7019047

Preview

Coordinates	7019046.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C75.2 H105.8 Cl2 Cu2 N12.6 O
Calculated formula	C75.2 H105.8 Cl2 Cu2 N12.6 O
Title of publication	Directed secondary interactions in transition metal complexes of tripodal pyrrole imine and amide ligands
Authors of publication	Hart, John S.; Nichol, Gary S.; Love, Jason B.
Journal of publication	Dalton Transactions
Year of publication	2012
Journal volume	41
Journal issue	19
Pages of publication	5785
a	16.9395 ± 0.0003 Å
b	16.191 ± 0.0003 Å
c	26.7675 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	7341.5 ± 0.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0483
Residual factor for significantly intense reflections	0.046
Weighted residual factors for significantly intense reflections	0.125
Weighted residual factors for all reflections included in the refinement	0.1268
Goodness-of-fit parameter for all reflections included in the refinement	1.068
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7019046.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7019046.cif
56032	2012-05-08	cif/ Adding structures of 7019044, 7019045, 7019046, 7019047 via cif-deposit CGI script.	7019046.cif