Crystallography Open Database

Information card for entry 7036635

Preview

Coordinates	7036635.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H42 B2 Cu F8 N16 O
Calculated formula	C20 H42 B2 Cu F8 N16 O
Title of publication	Copper(ii) tetrafluoroborate complexes with the N(3),N(4)-bridging coordination of 1-(tert-butyl)-1H-tetrazole: synthesis, crystal structure and magnetic properties.
Authors of publication	Degtyarik, Mikhail M.; Lyakhov, Alexander S.; Ivashkevich, Ludmila S.; Matulis, Vitaly E.; Matulis, Vadim E.; Gruschinski, Sina; Voitekhovich, Sergei V.; Kersting, Berthold; Ivashkevich, Oleg A.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	42
Pages of publication	18518 - 18526
a	11.2988 ± 0.0001 Å
b	12.5702 ± 0.0001 Å
c	12.5849 ± 0.0001 Å
α	89.7679 ± 0.0005°
β	76.6828 ± 0.0005°
γ	85.2409 ± 0.0005°
Cell volume	1733.14 ± 0.03 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0335
Residual factor for significantly intense reflections	0.0302
Weighted residual factors for significantly intense reflections	0.0803
Weighted residual factors for all reflections included in the refinement	0.0822
Goodness-of-fit parameter for all reflections included in the refinement	1.042
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
171276 (current)	2015-12-09	cif/ Updating files of 7036634, 7036635, 7036636 Original log message: Adding full bibliography for 7036634--7036636.cif.	7036635.cif
158268	2015-09-24	cif/ Adding structures of 7036634, 7036635, 7036636 via cif-deposit CGI script.	7036635.cif