Crystallography Open Database

Information card for entry 7119595

7119594 << 7119595 >> 7119596

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Coordinates	7119595.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H72 B2 Fe2 Ga2 N4 O8
Calculated formula	C60 H72 B2 Fe2 Ga2 N4 O8
SMILES	B1(N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)[Ga]1[Fe](C#[O])(C#[O])(C#[O])(C#[O])[Ga](B2N(C=CN2c2c(cccc2C(C)C)C(C)C)c2c(cccc2C(C)C)C(C)C)[Fe]1(C#[O])(C#[O])(C#[O])C#[O]
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	13.955 ± 0.0011 Å
b	11.3797 ± 0.0008 Å
c	20.3233 ± 0.0016 Å
α	90°
β	109.513 ± 0.004°
γ	90°
Cell volume	3042.1 ± 0.4 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/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0465
Residual factor for significantly intense reflections	0.0306
Weighted residual factors for significantly intense reflections	0.0676
Weighted residual factors for all reflections included in the refinement	0.0732
Goodness-of-fit parameter for all reflections included in the refinement	1.031
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
191438 (current)	2017-02-04	cif/ Adding structures of 7119595 via cif-deposit CGI script.	7119595.cif