Crystallography Open Database

Information card for entry 7048404

Preview

Coordinates	7048404.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H41 Cl Fe Ga N5 O6
Calculated formula	C45 H41 Cl Fe Ga N5 O6
Title of publication	2,6-Bis(benzimidazol-2-yl)pyridines as more electron-rich and sterically accessible alternatives to 2,6-bis(imino)pyridine for group 13 coordination chemistry.
Authors of publication	Swidan, Ala'aeddeen; Binder, Justin F.; Onge, Blake J St; Suter, Riccardo; Burford, Neil; Macdonald, Charles L. B.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	4
Pages of publication	1284 - 1291
a	9.7841 ± 0.0014 Å
b	15.069 ± 0.002 Å
c	28.034 ± 0.004 Å
α	90°
β	92.701 ± 0.004°
γ	90°
Cell volume	4128.6 ± 1 Å³
Cell temperature	170 K
Ambient diffraction temperature	170.05 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0866
Residual factor for significantly intense reflections	0.0623
Weighted residual factors for significantly intense reflections	0.1433
Weighted residual factors for all reflections included in the refinement	0.1569
Goodness-of-fit parameter for all reflections included in the refinement	1.118
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
224085 (current)	2019-11-07	cif/ Updating files of 7048404, 7048405, 7048406, 7048407, 7048408, 7048409, 7048410 Original log message: Adding full bibliography for 7048404--7048410.cif.	7048404.cif
212703	2018-12-21	cif/ Adding structures of 7048404, 7048405, 7048406, 7048407, 7048408, 7048409, 7048410 via cif-deposit CGI script.	7048404.cif