Crystallography Open Database

Information card for entry 7711976

7711975 << 7711976 >> 7711977

Preview

Coordinates	7711976.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C77 H63 B Br Fe N7 O6
Calculated formula	C77 H63 B Br Fe N7 O6
Title of publication	A 1,2,3-triazole-derived pincer-type mesoionic carbene complex of iron(II): carbonyl elimination and hydrosilylation of aromatic aldehydes <i>via</i> the concerted reaction with hydrosilane and a base.
Authors of publication	Matsubara, Kouki; Yamada, Yuji; Iwasaki, Haruka; Ikeda, Hayao; Kanetsugu, Yuki; Kawata, Satoshi; Koga, Yuji
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2023
Journal volume	52
Journal issue	3
Pages of publication	572 - 582
a	26.864 ± 0.007 Å
b	15.259 ± 0.004 Å
c	17.79 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	7292 ± 3 Å³
Cell temperature	153 K
Ambient diffraction temperature	153 K
Number of distinct elements	7
Space group number	52
Hermann-Mauguin space group symbol	P n n a
Hall space group symbol	-P 2a 2bc
Residual factor for all reflections	0.0847
Residual factor for significantly intense reflections	0.076
Weighted residual factors for significantly intense reflections	0.2012
Weighted residual factors for all reflections included in the refinement	0.2077
Goodness-of-fit parameter for all reflections included in the refinement	1.137
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
283342 (current)	2023-05-05	cif/ Updating files of 7711976 Original log message: Adding full bibliography for 7711976.cif.	7711976.cif
279955	2022-12-21	cif/ Adding structures of 7711976 via cif-deposit CGI script.	7711976.cif