Crystallography Open Database

Information card for entry 7242551

Preview

Coordinates	7242551.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	{tetraaqua-bis(2,2'-dipyridylamine)-bis(mu-pyrazole-3,5-dicarbarboxylato)tricopper(II)}
Formula	C30 H28 Cu3 N10 O12
Calculated formula	C30 H28 Cu3 N10 O12
Title of publication	Sonochemical synthesis of a trinuclear Cu(ii) complex with open coordination sites for the differentiable optical detection of volatile amines
Authors of publication	Klongdee, Fatima; Leelasubcharoen, Somying; Youngme, Sujittra; Boonmak, Jaursup
Journal of publication	RSC Advances
Year of publication	2021
Journal volume	11
Journal issue	20
Pages of publication	12218 - 12226
a	7.5789 ± 0.0018 Å
b	9.937 ± 0.002 Å
c	11.529 ± 0.003 Å
α	106.045 ± 0.006°
β	104.318 ± 0.007°
γ	99.588 ± 0.006°
Cell volume	782.4 ± 0.3 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1535
Residual factor for significantly intense reflections	0.0894
Weighted residual factors for significantly intense reflections	0.2246
Weighted residual factors for all reflections included in the refinement	0.2598
Goodness-of-fit parameter for all reflections included in the refinement	1.071
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
263388 (current)	2021-03-27	cif/ Adding structures of 7242551 via cif-deposit CGI script.	7242551.cif