Crystallography Open Database

Information card for entry 7028446

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Coordinates	7028446.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C47 H42 Cr N6 O4
Calculated formula	C47 H42 Cr N6 O4
Title of publication	Methanetrisamidines in coordination chemistry - syntheses, structures and CH-NH tautomerism.
Authors of publication	Gutschank, Benjamin; Schulz, Stephan; Bläser, Dieter; Wölper, Christoph
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	7
Pages of publication	2907 - 2914
a	24.6646 ± 0.0014 Å
b	14.2926 ± 0.0007 Å
c	11.5541 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	4073.1 ± 0.4 Å³
Cell temperature	180 ± 1 K
Ambient diffraction temperature	180 ± 1 K
Number of distinct elements	5
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	0.086
Residual factor for significantly intense reflections	0.0443
Weighted residual factors for significantly intense reflections	0.0839
Weighted residual factors for all reflections included in the refinement	0.0961
Goodness-of-fit parameter for all reflections included in the refinement	1.01
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
179990 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/84.	7028446.cif
105320	2014-03-12	cif/ Adding structures of 7028444, 7028445, 7028446 via cif-deposit CGI script.	7028446.cif