Crystallography Open Database

Information card for entry 8106108

Preview

Coordinates	8106108.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H28 Cl2 Fe P2 Zn
Calculated formula	C34 H28 Cl2 Fe P2 Zn
SMILES	[Zn]1([P]([c]23[cH]4[Fe]56789%102([c]2([P]1(c1ccccc1)c1ccccc1)[cH]5[cH]6[cH]7[cH]82)[cH]4[cH]9[cH]3%10)(c1ccccc1)c1ccccc1)(Cl)Cl
Title of publication	Crystal structure of dichlorido[1,1′-bis(diphenylphosphanyl)ferrocene-κ2 P,P′]zinc(II), C34H28FeCl2P2Zn
Authors of publication	Liguo, Yang; Xin, Wang; Qingyun, Liu; Nana, Liu; Yuqiang, Dai
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2018
Journal volume	233
Journal issue	2
Pages of publication	229 - 231
a	9.6794 ± 0.0011 Å
b	9.7989 ± 0.001 Å
c	18.2141 ± 0.0019 Å
α	95.874 ± 0.001°
β	99.935 ± 0.001°
γ	115.596 ± 0.002°
Cell volume	1503.9 ± 0.3 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0578
Residual factor for significantly intense reflections	0.0362
Weighted residual factors for significantly intense reflections	0.0823
Weighted residual factors for all reflections included in the refinement	0.0964
Goodness-of-fit parameter for all reflections included in the refinement	0.998
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
279312 (current)	2022-11-16	cif/ Adding structures of 8106108 via cif-deposit CGI script.	8106108.cif