Crystallography Open Database

Information card for entry 7119598

7119597 << 7119598 >> 7119599

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Coordinates	7119598.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H44 B Br2 Ga N2 O
Calculated formula	C30 H44 B Br2 Ga N2 O
SMILES	[Ga](Br)(Br)([O]1CCCC1)B1N(c2c(C(C)C)cccc2C(C)C)C=CN1c1c(C(C)C)cccc1C(C)C
Title of publication	Boryl substituted group 13 metallylenes: complexes with an iron carbonyl fragment.
Authors of publication	Dange, Deepak; Sindlinger, Christian P.; Aldridge, Simon; Jones, Cameron
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2016
Journal volume	53
Journal issue	1
Pages of publication	149 - 152
a	14.126 ± 0.0007 Å
b	12.1475 ± 0.0006 Å
c	19.3683 ± 0.0011 Å
α	90°
β	100.037 ± 0.005°
γ	90°
Cell volume	3272.6 ± 0.3 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	0.0494
Residual factor for significantly intense reflections	0.0314
Weighted residual factors for significantly intense reflections	0.066
Weighted residual factors for all reflections included in the refinement	0.0725
Goodness-of-fit parameter for all reflections included in the refinement	1.029
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
191441 (current)	2017-02-04	cif/ Adding structures of 7119598 via cif-deposit CGI script.	7119598.cif