Crystallography Open Database

Information card for entry 7229971

Preview

Coordinates	7229971.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[CuL30dNO3]
Formula	C12 H16 Cu N4 O7
Calculated formula	C12 H16 Cu N4 O7
Title of publication	Novel Cu(ii) complexes with NNO-Schiff base-like ligands ‒ structures and magnetic properties
Authors of publication	Dankhoff, Katja; Weber, Birgit
Journal of publication	CrystEngComm
Year of publication	2018
Journal volume	20
Journal issue	6
Pages of publication	818
a	9.0597 ± 0.0006 Å
b	14.5372 ± 0.0007 Å
c	11.8354 ± 0.0008 Å
α	90°
β	95.232 ± 0.005°
γ	90°
Cell volume	1552.26 ± 0.17 Å³
Cell temperature	133 ± 2 K
Ambient diffraction temperature	133 ± 2 K
Number of distinct elements	5
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	0.041
Residual factor for significantly intense reflections	0.0274
Weighted residual factors for significantly intense reflections	0.0578
Weighted residual factors for all reflections included in the refinement	0.0605
Goodness-of-fit parameter for all reflections included in the refinement	0.906
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
229011 (current)	2019-11-17	cif/ Updating files of 7229962, 7229963, 7229964, 7229965, 7229966, 7229967, 7229968, 7229969, 7229970, 7229971, 7229972, 7229973, 7229974, 7229975, 7229976, 7229977, 7229978, 7229979, 7229980, 7229981, 7229982, 7229983, 7229984, 7229985, 7229986, 7229987 Original log message: Adding full bibliography for 7229962--7229987.cif.	7229971.cif
205237	2018-01-16	cif/ Adding structures of 7229962, 7229963, 7229964, 7229965, 7229966, 7229967, 7229968, 7229969, 7229970, 7229971, 7229972, 7229973, 7229974, 7229975, 7229976, 7229977, 7229978, 7229979, 7229980, 7229981, 7229982, 7229983, 7229984, 7229985, 7229986, 7229987 via cif-deposit CGI script.	7229971.cif