Crystallography Open Database

Information card for entry 7705796

Preview

Coordinates	7705796.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H16 F7 N9 O5 Ti Zn3
Calculated formula	C6 H16 F7 N9 O5 Ti Zn3
Title of publication	Topotactic desolvation and condensation reactions of 3D Zn<sub>3</sub>TiF<sub>7</sub>(H<sub>2</sub>O)<sub>2</sub>(taz)<sub>3</sub>·S (S = 3H<sub>2</sub>O or C<sub>2</sub>H<sub>5</sub>OH).
Authors of publication	Albino, M.; Lhoste, J.; Body, M.; Legein, C.; Hémon-Ribaud, A; Maisonneuve, V.; Leblanc, M.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	48
Pages of publication	17758 - 17771
a	11.2025 ± 0.0002 Å
b	10.8541 ± 0.0002 Å
c	8.8565 ± 0.0002 Å
α	90°
β	115.758 ± 0.001°
γ	90°
Cell volume	969.89 ± 0.03 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	7
Space group number	8
Hermann-Mauguin space group symbol	C 1 m 1
Hall space group symbol	C -2y
Residual factor for all reflections	0.0297
Residual factor for significantly intense reflections	0.0295
Weighted residual factors for significantly intense reflections	0.0843
Weighted residual factors for all reflections included in the refinement	0.0849
Goodness-of-fit parameter for all reflections included in the refinement	1.122
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
260763 (current)	2021-01-07	cif/ Updating files of 7705796, 7705797, 7705798, 7705799, 7705800, 7705801 Original log message: Adding full bibliography for 7705796--7705801.cif.	7705796.cif
259402	2020-12-01	cif/ Adding structures of 7705796, 7705797, 7705798, 7705799, 7705800, 7705801 via cif-deposit CGI script.	7705796.cif