Crystallography Open Database

Information card for entry 7048252

Preview

Coordinates	7048252.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H52 Cl4 Fe N10 O22.5
Calculated formula	C56 H49.5 Cl4 Fe N10 O22.5
Title of publication	A benzimidazolyl terpyridine-Fe<sup>2+</sup> system and its recognition driven molecular model of a traffic light.
Authors of publication	Sonkar, Avinash Kumar; Rai, Abhishek; Tripathi, Kamini; Sharma, Pooja; Roesky, H. W.; Drew, Michael G. B.; Mishra, Lallan
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	48
Journal issue	1
Pages of publication	158 - 167
a	10.8611 ± 0.0005 Å
b	17.4221 ± 0.0008 Å
c	18.0546 ± 0.0008 Å
α	62.612 ± 0.001°
β	81.047 ± 0.001°
γ	85.646 ± 0.001°
Cell volume	2996.4 ± 0.2 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 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	0.0977
Residual factor for significantly intense reflections	0.0681
Weighted residual factors for significantly intense reflections	0.1639
Weighted residual factors for all reflections included in the refinement	0.1809
Goodness-of-fit parameter for all reflections included in the refinement	1.022
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
223933 (current)	2019-11-07	cif/ Updating files of 7048251, 7048252, 7048253 Original log message: Adding full bibliography for 7048251--7048253.cif.	7048252.cif
212204	2018-11-28	cif/ Adding structures of 7048251, 7048252, 7048253 via cif-deposit CGI script.	7048252.cif