Crystallography Open Database

Information card for entry 7712515

Preview

Coordinates	7712515.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H26 Cl4 Cu2 N10 O8
Calculated formula	C18 H26 Cl4 Cu2 N10 O8
SMILES	[O-]Cl(=O)(=O)=O.[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.[O-]Cl(=O)(=O)=O
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	6.696 ± 0.0005 Å
b	14.768 ± 0.0011 Å
c	14.4998 ± 0.001 Å
α	90°
β	93.504 ± 0.004°
γ	90°
Cell volume	1431.15 ± 0.18 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
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	0.0675
Residual factor for significantly intense reflections	0.0607
Weighted residual factors for significantly intense reflections	0.1598
Weighted residual factors for all reflections included in the refinement	0.1641
Goodness-of-fit parameter for all reflections included in the refinement	1.047
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.	7712515.cif