Crystallography Open Database

Information card for entry 7127435

Preview

Coordinates	7127435.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H25 Au2 Fe N11 O6
Calculated formula	C31 H25 Au2 Fe N11 O6
Title of publication	A new spin crossover Fe<sup>II</sup> coordination environment in a two-fold interpenetrated 3-D Hofmann-type framework material.
Authors of publication	Ahmed, Manan; Xie, Zixi; Thoonen, Shannon; Hua, Carol; Kepert, Cameron J.; Price, Jason R.; Neville, Suzanne M.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2021
Journal volume	57
Journal issue	1
Pages of publication	85 - 88
a	10.095 ± 0.002 Å
b	30.238 ± 0.006 Å
c	33.51 ± 0.007 Å
α	90°
β	90°
γ	90°
Cell volume	10229 ± 4 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	6
Space group number	20
Hermann-Mauguin space group symbol	C 2 2 21
Hall space group symbol	C 2c 2
Residual factor for all reflections	0.0417
Residual factor for significantly intense reflections	0.0415
Weighted residual factors for significantly intense reflections	0.1216
Weighted residual factors for all reflections included in the refinement	0.1218
Goodness-of-fit parameter for all reflections included in the refinement	1.036
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	Synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
261520 (current)	2021-02-05	cif/ Updating files of 7127435, 7127436, 7127437, 7127438, 7127439, 7127440, 7127441, 7127442, 7127443, 7127444, 7127445, 7127446, 7127447, 7127448, 7127449, 7127450 Original log message: Adding full bibliography for 7127435--7127450.cif.	7127435.cif
259363	2020-12-01	cif/ Adding structures of 7127435, 7127436, 7127437, 7127438, 7127439, 7127440, 7127441, 7127442, 7127443, 7127444, 7127445, 7127446, 7127447, 7127448, 7127449, 7127450 via cif-deposit CGI script.	7127435.cif