Crystallography Open Database

Information card for entry 7708438

Preview

Coordinates	7708438.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C64 H84 Fe N4 O2 P2
Calculated formula	C64 H84 Fe N4 O2 P2
SMILES	[Fe]12345678([c]9(P=C%10N(C(=C(N%10c%10c(cc(cc%10C)C)C)C)C)c%10c(cc(cc%10C)C)C)[cH]1[cH]2[cH]3[cH]49)[c]1(P=C2N(C(=C(N2c2c(cc(cc2C)C)C)C)C)c2c(cc(cc2C)C)C)[cH]5[cH]6[cH]7[cH]81.O(CC)CC.O(CC)CC
Title of publication	Application of Ferrocene-Bridged N-Heterocyclic Carbene Stabilised Bis-Phosphinidenes in Sn(II) Complexation
Authors of publication	Baierl, Ramona; Kostenko, Arseni; Hanusch, Franziska; Inoue, Shigeyoshi
Journal of publication	Dalton Transactions
Year of publication	2021
a	14.341 ± 0.005 Å
b	14.789 ± 0.004 Å
c	15.604 ± 0.006 Å
α	80.658 ± 0.013°
β	79.157 ± 0.015°
γ	66.634 ± 0.012°
Cell volume	2969.6 ± 1.8 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 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	0.0345
Residual factor for significantly intense reflections	0.0314
Weighted residual factors for significantly intense reflections	0.0876
Weighted residual factors for all reflections included in the refinement	0.0899
Goodness-of-fit parameter for all reflections included in the refinement	1.003
Diffraction radiation probe	x-ray
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
269330 (current)	2021-09-28	cif/ Adding structures of 7708437, 7708438, 7708439 via cif-deposit CGI script.	7708438.cif