Crystallography Open Database

Information card for entry 7712509

Preview

Coordinates	7712509.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H26 B2 Cl2 Cu2 F8 N10
Calculated formula	C18 H26 B2 Cl2 Cu2 F8 N10
SMILES	[Cu]12([Cl][Cu]3([Cl]2)([n]2n(C(=[NH]3)CC)ccc2)[n]2[nH]ccc2)([n]2n(C(=[NH]1)CC)ccc2)[n]1[nH]ccc1.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-]
Title of publication	The effect of anions in the synthesis and structure of pyrazolylamidino copper(II) complexes
Authors of publication	Hsieh, Chang-Chih; Liao, Po-Kuang; Chen, Chia-Wei; Chiang, Ming-Hsi; Horng, Yih-Chern
Journal of publication	Dalton Transactions
Year of publication	2023
a	6.6757 ± 0.0004 Å
b	14.7202 ± 0.0008 Å
c	14.3589 ± 0.0008 Å
α	90°
β	93.853 ± 0.003°
γ	90°
Cell volume	1407.83 ± 0.14 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0392
Residual factor for significantly intense reflections	0.0354
Weighted residual factors for significantly intense reflections	0.1029
Weighted residual factors for all reflections included in the refinement	0.1059
Goodness-of-fit parameter for all reflections included in the refinement	0.851
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
281297 (current)	2023-03-04	cif/ Adding structures of 7712506, 7712507, 7712508, 7712509, 7712510, 7712511, 7712512, 7712513, 7712514, 7712515, 7712516 via cif-deposit CGI script.	7712509.cif