Crystallography Open Database

Information card for entry 7119597

7119596 << 7119597 >> 7119598

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Coordinates	7119597.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H44 B Cl2 Ga N2 O
Calculated formula	C30 H44 B Cl2 Ga N2 O
SMILES	[Ga](Cl)(Cl)(B1N(C=CN1c1c(C(C)C)cccc1C(C)C)c1c(cccc1C(C)C)C(C)C)[O]1CCCC1
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	10.2077 ± 0.001 Å
b	12.3372 ± 0.0011 Å
c	13.3681 ± 0.0015 Å
α	90°
β	106.068 ± 0.011°
γ	90°
Cell volume	1617.7 ± 0.3 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	7
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0398
Residual factor for significantly intense reflections	0.0338
Weighted residual factors for significantly intense reflections	0.0783
Weighted residual factors for all reflections included in the refinement	0.083
Goodness-of-fit parameter for all reflections included in the refinement	1.062
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
191440 (current)	2017-02-04	cif/ Adding structures of 7119597 via cif-deposit CGI script.	7119597.cif