Crystallography Open Database

Information card for entry 2243569

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Structure parameters

Common name	Bis[(<i>R</i>,<i>R</i>)-1,2-(binaphthylphosphonito)ethane]dichloridoiron(II) dichloromethane disolvate
Chemical name	Bis{1,2-bis[12,14-dioxa-13-phosphapentacyclo[13.8.0.0^2,11^.0^3,8^.0^18,23^]tricosa-1(15),2(11),3(8),4,6,9,16,18(23),19,21-decaen-13-yl]ethane}dichloridoiron(II) dichloromethane disolvate
Formula	C86 H60 Cl6 Fe O8 P4
Calculated formula	C86 H60 Cl6 Fe O8 P4
Title of publication	Crystal structure of bis[(<i>R</i>,<i>R</i>)-1,2-(binaphthylphosphonito)ethane]dichloridoiron(II) dichloromethane disolvate
Authors of publication	Rennie, Benjamin E.; Lough, Alan J.; Morris, Robert H.
Journal of publication	Acta Crystallographica Section E
Year of publication	2020
Journal volume	76
Journal issue	9
Pages of publication	1525 - 1527
a	11.985 ± 0.0003 Å
b	11.985 ± 0.0003 Å
c	52.4508 ± 0.0014 Å
α	90°
β	90°
γ	90°
Cell volume	7534 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	96
Hermann-Mauguin space group symbol	P 43 21 2
Hall space group symbol	P 4nw 2abw
Residual factor for all reflections	0.0494
Residual factor for significantly intense reflections	0.0425
Weighted residual factors for significantly intense reflections	0.105
Weighted residual factors for all reflections included in the refinement	0.1098
Goodness-of-fit parameter for all reflections included in the refinement	1.041
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	Yes

Version history

Revision	Date	Message	Files
255746 (current)	2020-08-29	cif/ hkl/ Adding structures of 2243569 via cif-deposit CGI script.	2243569.cif 2243569.hkl