Crystallography Open Database

Information card for entry 7133376

Preview

Coordinates	7133376.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C82 H88 Cl F18 Fe2 N19 O16 S6
Calculated formula	C82 H88 Cl F18 Fe2 N19 O16 S6
Title of publication	Iron homo- and heterobimetallic complexes supported by a symmetrical dinucleating ligand.
Authors of publication	Ríos, Pablo; See, Matthew S.; Gonzalez, Oscar; Handford, Rex C.; Nicolay, Amélie; Rao, Guodong; Britt, R. David; Bediako, D. Kwabena; Tilley, T. Don
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2024
Journal volume	60
Journal issue	67
Pages of publication	8912 - 8915
a	17.5489 ± 0.0005 Å
b	15.0572 ± 0.0005 Å
c	36.9438 ± 0.0011 Å
α	90°
β	94.949 ± 0.001°
γ	90°
Cell volume	9725.5 ± 0.5 Å³
Cell temperature	100.15 K
Ambient diffraction temperature	100 K
Number of distinct elements	8
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0676
Residual factor for significantly intense reflections	0.0503
Weighted residual factors for significantly intense reflections	0.1383
Weighted residual factors for all reflections included in the refinement	0.15
Goodness-of-fit parameter for all reflections included in the refinement	1.05
Diffraction radiation wavelength	0.7288 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
294456 (current)	2024-09-06	cif/ Updating files of 7133376, 7133377, 7133378, 7133379, 7133380 Original log message: Adding full bibliography for 7133376--7133380.cif.	7133376.cif
293495	2024-07-23	cif/ Adding structures of 7133376, 7133377, 7133378, 7133379, 7133380 via cif-deposit CGI script.	7133376.cif