Crystallography Open Database

Information card for entry 7045135

Preview

Coordinates	7045135.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C65 H66.5 F18 Fe4 N17.5 O29 S6
Calculated formula	C65 H66.5 F18 Fe4 N17.5 O29 S6
Title of publication	A new nitrogen rich open chain diazine ligand system: synthesis coordination chemistry and magneto-structural studies.
Authors of publication	Anwar, Muhammad U.; Al-Harrasi, Ahmed; Gavey, Emma L.; Pilkington, Melanie; Rawson, Jeremy M.; Thompson, Laurence K.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	8
Pages of publication	2511 - 2521
a	15.2861 ± 0.001 Å
b	18.7512 ± 0.0011 Å
c	19.8454 ± 0.0012 Å
α	79.965 ± 0.002°
β	76.015 ± 0.002°
γ	68.805 ± 0.002°
Cell volume	5122.6 ± 0.6 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1033
Residual factor for significantly intense reflections	0.0684
Weighted residual factors for significantly intense reflections	0.1614
Weighted residual factors for all reflections included in the refinement	0.2082
Goodness-of-fit parameter for all reflections included in the refinement	1.091
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
229404 (current)	2019-11-17	cif/ Updating files of 7045131, 7045132, 7045133, 7045134, 7045135 Original log message: Adding full bibliography for 7045131--7045135.cif.	7045135.cif
204474	2017-12-22	cif/ Adding structures of 7045131, 7045132, 7045133, 7045134, 7045135 via cif-deposit CGI script.	7045135.cif