Crystallography Open Database

Information card for entry 7705182

Preview

Coordinates	7705182.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C64 H86 Cl2 Fe2 N4 O
Calculated formula	C64 H86 Cl2 Fe2 N4 O
Title of publication	Syntheses and characterizations of iron complexes of bulky <i>o</i>-phenylenediamide ligand.
Authors of publication	Liang, Qiuming; Lin, Jack H.; DeMuth, Joshua C.; Neidig, Michael L.; Song, Datong
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	35
Pages of publication	12287 - 12297
a	10.1107 ± 0.0007 Å
b	13.5638 ± 0.0009 Å
c	13.8531 ± 0.001 Å
α	61.794 ± 0.003°
β	68.888 ± 0.003°
γ	79.987 ± 0.004°
Cell volume	1561.8 ± 0.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.0671
Residual factor for significantly intense reflections	0.0384
Weighted residual factors for significantly intense reflections	0.081
Weighted residual factors for all reflections included in the refinement	0.0902
Goodness-of-fit parameter for all reflections included in the refinement	1.027
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
257555 (current)	2020-10-06	cif/ Updating files of 7705182, 7705183, 7705184, 7705185, 7705186, 7705187, 7705188, 7705189, 7705190, 7705191 Original log message: Adding full bibliography for 7705182--7705191.cif.	7705182.cif
255416	2020-08-18	cif/ Adding structures of 7705182, 7705183, 7705184, 7705185, 7705186, 7705187, 7705188, 7705189, 7705190, 7705191 via cif-deposit CGI script.	7705182.cif