Crystallography Open Database

Information card for entry 7028302

Preview

Coordinates	7028302.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41.5 H42 N2 Si2 Zn2
Calculated formula	C41.5 H42 N2 Si2 Zn2
SMILES	[Zn]1([NH]([Si](c2ccccc2)(c2ccccc2)c2ccccc2)[Zn]([NH]1[Si](c1ccccc1)(c1ccccc1)c1ccccc1)C)C.c1ccccc1C
Title of publication	New organo- and amidozinc derivatives of primary amines.
Authors of publication	Cosham, Samuel D.; Hill, Michael S.; Johnson, Andrew L.; Molloy, Kieran C.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	2
Pages of publication	859 - 864
a	26.284 ± 0.0003 Å
b	9.477 ± 0.0002 Å
c	32.319 ± 0.0004 Å
α	90°
β	110.277 ± 0.001°
γ	90°
Cell volume	7551.6 ± 0.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0731
Residual factor for significantly intense reflections	0.0489
Weighted residual factors for significantly intense reflections	0.1097
Weighted residual factors for all reflections included in the refinement	0.1294
Goodness-of-fit parameter for all reflections included in the refinement	1.014
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
179989 (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 7/02/83.	7028302.cif
123941	2014-09-17	cif/7 Fixing Z value and formulae for several entries	7028302.cif
105277	2014-03-12	cif/ Adding structures of 7028302, 7028303, 7028304, 7028305, 7028306, 7028307 via cif-deposit CGI script.	7028302.cif