Crystallography Open Database

Information card for entry 7116344

Preview

Coordinates	7116344.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C88 H128 Ga2 N6 O5
Calculated formula	C88 H120 Ga2 N6 O6
SMILES	C1(=C(C)N([Ga](N1c1c(cccc1C(C)C)C(C)C)(N1c2ccccc2N(c2ccccc12)[Ga]1([N](C(=C(C)N1c1c(cccc1C(C)C)C(C)C)C)c1c(cccc1C(C)C)C(C)C)[O]1CCCC1)[O]1CCCC1)c1c(cccc1C(C)C)C(C)C)C.O1CCCC1.O1CCCC1.O1CCCC1
Title of publication	Gallium complexes with alpha-diimine and phenazine in various reduced states
Authors of publication	Yanxia Zhao; Yanyan Liu; Zeyi Wang; Wenhua Xu; Bin Liu; Ji-Hu Su; Biao Wu; Xiao-Juan Yang
Journal of publication	Chem.Commun.
Year of publication	2015
Journal volume	51
Pages of publication	1237
a	11.056 ± 0.004 Å
b	24.846 ± 0.009 Å
c	15.591 ± 0.006 Å
α	90°
β	92.912 ± 0.006°
γ	90°
Cell volume	4277 ± 3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
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	0.0994
Residual factor for significantly intense reflections	0.0537
Weighted residual factors for significantly intense reflections	0.1176
Weighted residual factors for all reflections included in the refinement	0.1345
Goodness-of-fit parameter for all reflections included in the refinement	1.032
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
180277 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/63.	7116344.cif
129591	2015-01-13	cif/ Adding structures of 7116343, 7116344 via cif-deposit CGI script.	7116344.cif