Crystallography Open Database

Information card for entry 2023128

2023127 << 2023128 >> 2023129

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Coordinates	2023128.cif
Original IUCr paper	HTML

Structure parameters

Common name	pentaaminecopper(II) chloride urea
Chemical name	Pentaaminecopper(II) dichloride–urea (1/1)
Formula	C H19 Cl2 Cu N7 O
Calculated formula	C H19 Cl2 Cu N7 O
Title of publication	Crystal structure and Hirshfeld surface of a pentaaminecopper(II) complex with urea and chloride
Authors of publication	Breen, Olivia D.; Keene, Tony D.
Journal of publication	Acta Crystallographica Section E Crystallographic Communications
Year of publication	2024
Journal volume	80
Journal issue	6
a	12.2214 ± 0.0002 Å
b	7.023 ± 0.0001 Å
c	13.0537 ± 0.0003 Å
α	90°
β	94.511 ± 0.002°
γ	90°
Cell volume	1116.94 ± 0.04 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.035
Residual factor for significantly intense reflections	0.0332
Weighted residual factors for significantly intense reflections	0.0903
Weighted residual factors for all reflections included in the refinement	0.092
Goodness-of-fit parameter for all reflections included in the refinement	1.078
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
291858 (current)	2024-05-15	cif/ Adding structures of 2023128 via cif-deposit CGI script.	2023128.cif