Crystallography Open Database

Information card for entry 7019716

7019715 << 7019716 >> 7019717

Preview

Coordinates	7019716.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H68 N2 O
Calculated formula	C72 H68 N2 O
SMILES	O(CC)CC.N(C1CNc2c(cc(cc2C(c2ccccc2)c2ccccc2)C)C1(c1ccccc1)c1ccccc1)c1c(cc(cc1C(c1ccccc1)c1ccccc1)C)C(c1ccccc1)c1ccccc1
Title of publication	Synthesis and characterisation of anionic and neutral gallium(i) N-heterocyclic carbene analogues.
Authors of publication	Dange, Deepak; Choong, Sam L.; Schenk, Christian; Stasch, Andreas; Jones, Cameron
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2012
Journal volume	41
Journal issue	31
Pages of publication	9304 - 9315
a	13.639 ± 0.003 Å
b	14.388 ± 0.003 Å
c	14.442 ± 0.003 Å
α	101.09 ± 0.03°
β	92.85 ± 0.03°
γ	96.22 ± 0.03°
Cell volume	2757.5 ± 1.1 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0824
Residual factor for significantly intense reflections	0.0505
Weighted residual factors for significantly intense reflections	0.1243
Weighted residual factors for all reflections included in the refinement	0.1423
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
179901 (current)	2016-03-25	cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/97.	7019716.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7019716.cif
64285	2012-08-12	cif/ Adding structures of 7019714, 7019715, 7019716, 7019717, 7019718, 7019719, 7019720, 7019721, 7019722, 7019723 via cif-deposit CGI script.	7019716.cif