Crystallography Open Database

Information card for entry 7705184

Preview

Coordinates	7705184.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H76 Fe N4
Calculated formula	C60 H76 Fe N4
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	18.114 ± 0.002 Å
b	20.701 ± 0.002 Å
c	33.7 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	12637 ± 2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	68
Hermann-Mauguin space group symbol	C c c a :2
Hall space group symbol	-C 2a 2ac
Residual factor for all reflections	0.1006
Residual factor for significantly intense reflections	0.0549
Weighted residual factors for significantly intense reflections	0.134
Weighted residual factors for all reflections included in the refinement	0.1553
Goodness-of-fit parameter for all reflections included in the refinement	1.01
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
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.	7705184.cif
255416	2020-08-18	cif/ Adding structures of 7705182, 7705183, 7705184, 7705185, 7705186, 7705187, 7705188, 7705189, 7705190, 7705191 via cif-deposit CGI script.	7705184.cif