Crystallography Open Database

Information card for entry 7705148

Preview

Coordinates	7705148.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H28 Co Fe I2 P2
Calculated formula	C34 H28 Co Fe I2 P2
SMILES	c1(ccccc1)[P]1(c2ccccc2)[c]23[cH]4[cH]5[cH]6[cH]2[Fe]27893456[c]3([cH]2[cH]7[cH]8[cH]93)[P](c2ccccc2)(c2ccccc2)[Co]1(I)I
Title of publication	Co(II)-Based single-ion magnets with 1,1'-ferrocenediyl-bis(diphenylphosphine) metalloligands.
Authors of publication	Hrubý, J; Dvořák, D; Squillantini, L.; Mannini, M.; van Slageren, J.; Herchel, R.; Nemec, I.; Neugebauer, P.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	33
Pages of publication	11697 - 11707
a	8.9206 ± 0.0005 Å
b	18.0297 ± 0.0011 Å
c	9.9691 ± 0.0007 Å
α	90°
β	94.857 ± 0.002°
γ	90°
Cell volume	1597.63 ± 0.17 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0499
Residual factor for significantly intense reflections	0.0306
Weighted residual factors for significantly intense reflections	0.0517
Weighted residual factors for all reflections included in the refinement	0.0644
Goodness-of-fit parameter for all reflections included in the refinement	1.04
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
256077 (current)	2020-09-06	cif/ Updating files of 7705146, 7705147, 7705148 Original log message: Adding full bibliography for 7705146--7705148.cif.	7705148.cif
255306	2020-08-14	cif/ Adding structures of 7705146, 7705147, 7705148 via cif-deposit CGI script.	7705148.cif