Crystallography Open Database

Information card for entry 7026676

Preview

Coordinates	7026676.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H72 Br2 Li N3 O2 Zn
Calculated formula	C45 H72 Br2 Li N3 O2 Zn
SMILES	[Br]1[Zn]2([N](=C(N2c2c(cccc2C(C)C)C(C)C)N(C2CCCCC2)C2CCCCC2)c2c(cccc2C(C)C)C(C)C)[Br][Li]1([O]1CCCC1)[O]1CCCC1
Title of publication	Bulky guanidinato and amidinato zinc complexes and their comparative stabilities.
Authors of publication	Jones, Cameron; Furness, Leigh; Nembenna, Sharanappa; Rose, Richard P.; Aldridge, Simon; Stasch, Andreas
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2010
Journal volume	39
Journal issue	37
Pages of publication	8788 - 8795
a	19.562 ± 0.004 Å
b	19.44 ± 0.004 Å
c	12.458 ± 0.003 Å
α	90°
β	101.64 ± 0.03°
γ	90°
Cell volume	4640.2 ± 1.8 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0948
Residual factor for significantly intense reflections	0.0602
Weighted residual factors for significantly intense reflections	0.1484
Weighted residual factors for all reflections included in the refinement	0.1663
Goodness-of-fit parameter for all reflections included in the refinement	1.026
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
179972 (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 7/02/66.	7026676.cif
93562	2014-01-13	cif/ Adding structures of 7026673, 7026674, 7026675, 7026676, 7026677, 7026678, 7026679, 7026680 via cif-deposit CGI script.	7026676.cif