Crystallography Open Database

Information card for entry 4307558

Preview

Coordinates	4307558.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C94 H148 Ga2 N6 Ni O3
Calculated formula	C94 H148 Ga2 N6 Ni O3
SMILES	[Ga]1([Ni]234([Ga]5[N](=C(N5c5c(cccc5C(C)C)C(C)C)N(C5CCCCC5)C5CCCCC5)c5c(cccc5C(C)C)C(C)C)[CH]5=[CH]2CC[CH]3=[CH]4CC5)[N](=C(N1c1c(cccc1C(C)C)C(C)C)N(C1CCCCC1)C1CCCCC1)c1c(cccc1C(C)C)C(C)C.O1CCCC1.O1CCCC1.O1CCCC1
Title of publication	Homo- and Heteroleptic Complexes of Four-Membered Group 13 Metal(I) N-Heterocyclic Carbene Analogues with Group 10 Metal(0) Fragments
Authors of publication	Shaun P. Green; Cameron Jones; Andreas Stasch
Journal of publication	Inorganic Chemistry
Year of publication	2007
Journal volume	46
Pages of publication	11 - 13
a	13.496 ± 0.003 Å
b	18.139 ± 0.004 Å
c	18.576 ± 0.004 Å
α	80.05 ± 0.03°
β	81.38 ± 0.03°
γ	82.52 ± 0.03°
Cell volume	4403 ± 1.8 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0904
Residual factor for significantly intense reflections	0.0663
Weighted residual factors for significantly intense reflections	0.1629
Weighted residual factors for all reflections included in the refinement	0.1769
Goodness-of-fit parameter for all reflections included in the refinement	1.035
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
179113 (current)	2016-03-23	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/75.	4307558.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4307558.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4307558.cif
1194	2010-06-06	cif/4/ Adding data from Inorg-Chem-2007_01-13/ processing directory.	4307558.cif