Crystallography Open Database

Information card for entry 7045407

Preview

Coordinates	7045407.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C68 H86 Fe2 N10
Calculated formula	C68 H86 Fe2 N10
SMILES	n12[n](c(cc1)C(C)(C)C)[Fe]134[c]5(cc(nn5c5cc(cc6c5n3c3c6cc(cc23)C(C)(C)C)C(C)(C)C)C(C)(C)C)[Fe]234[c]41cc(nn4c1cc(cc4c1n2c1c4cc(cc1n1[n]3c(cc1)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C
Title of publication	Synthesis and characterization of an iron complex bearing a hemilabile NNN-pincer for catalytic hydrosilylation of organic carbonyl compounds.
Authors of publication	Lin, Hsiu-Jung; Lutz, Sean; O'Kane, Catherine; Zeller, Matthias; Chen, Chun-Hsing; Al Assil, Talal; Lee, Wei-Tsung
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	10
Pages of publication	3243 - 3247
a	10.6257 ± 0.0007 Å
b	11.7461 ± 0.0007 Å
c	13.373 ± 0.0009 Å
α	108.574 ± 0.003°
β	101.586 ± 0.004°
γ	98.224 ± 0.004°
Cell volume	1510.91 ± 0.18 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0678
Residual factor for significantly intense reflections	0.0566
Weighted residual factors for significantly intense reflections	0.1283
Weighted residual factors for all reflections included in the refinement	0.1383
Goodness-of-fit parameter for all reflections included in the refinement	1.111
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
229233 (current)	2019-11-17	cif/ Updating files of 7045406, 7045407, 7045408 Original log message: Adding full bibliography for 7045406--7045408.cif.	7045407.cif
205686	2018-01-26	cif/ Adding structures of 7045406, 7045407, 7045408 via cif-deposit CGI script.	7045407.cif