Crystallography Open Database

Information card for entry 7043677

Preview

Coordinates	7043677.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H48 Ag2 F12 Fe2 N2 O2 P2 Sb2
Calculated formula	C52 H48 Ag2 F12 Fe2 N2 O2 P2 Sb2
SMILES	[P]1([Ag]C#[N][c]23[cH]4[cH]5[cH]6[cH]2[Fe]27893456[c]3([P]([Ag]C#[N][c]45[cH]6[cH]%10[cH]%11[cH]4[Fe]4%12%13%1456%10%11[c]51[cH]4[cH]%14[cH]%13[cH]%125)(c1ccccc1)c1ccccc1)[cH]2[cH]7[cH]8[cH]93)(c1ccccc1)c1ccccc1.[F-][Sb](F)(F)(F)(F)F.C(=O)(C)C.[F-][Sb](F)(F)(F)(F)F.C(=O)(C)C
Title of publication	Synthesis and characterization of 1'-(diphenylphosphino)-1-isocyanoferrocene, an organometallic ligand combining two different soft donor moieties, and its Group 11 metal complexes
Authors of publication	Skoch, Karel; Cisarova, Ivana; Schulz, Jiri; Siemeling, Ulrich; Stepnicka, Petr
Journal of publication	Dalton Trans.
Year of publication	2017
a	8.7552 ± 0.0003 Å
b	14.2448 ± 0.0005 Å
c	22.3852 ± 0.0007 Å
α	90°
β	98.2369 ± 0.0012°
γ	90°
Cell volume	2762.99 ± 0.16 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	9
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	0.0459
Residual factor for significantly intense reflections	0.0377
Weighted residual factors for significantly intense reflections	0.0935
Weighted residual factors for all reflections included in the refinement	0.0982
Goodness-of-fit parameter for all reflections included in the refinement	1.07
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
198797 (current)	2017-07-19	cif/ Adding structures of 7043672, 7043673, 7043674, 7043675, 7043676, 7043677, 7043678, 7043679, 7043680, 7043681, 7043682 via cif-deposit CGI script.	7043677.cif