Crystallography Open Database

Information card for entry 7712142

Preview

Coordinates	7712142.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 Cd3 Cu9 K9.05 N36 Nb54 O234 Si3
Calculated formula	C36 Cd3 Cu9 K9.044 N36 Nb54 O234 Si3
Title of publication	Cadmium-containing windmill-like heteropolyoxoniobate macrocycle with high yield for catalyzing Knoevenagel condensation.
Authors of publication	Liu, Zheng-Yi; Ye, Jian-Ping; Li, Yi-Lun; Sun, Yan-Qiong; Li, Xin-Xiong; Sun, Cai; Zheng, Shou-Tian
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2023
Journal volume	52
Journal issue	5
Pages of publication	1193 - 1197
a	25.5734 ± 0.0004 Å
b	26.5996 ± 0.0004 Å
c	26.713 ± 0.0004 Å
α	61.229 ± 0.002°
β	78.987 ± 0.001°
γ	81.922 ± 0.001°
Cell volume	15609.8 ± 0.5 Å³
Cell temperature	99.99 ± 0.1 K
Ambient diffraction temperature	99.99 ± 0.1 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0723
Residual factor for significantly intense reflections	0.0653
Weighted residual factors for significantly intense reflections	0.1799
Weighted residual factors for all reflections included in the refinement	0.1861
Goodness-of-fit parameter for all reflections included in the refinement	1.007
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
283257 (current)	2023-05-05	cif/ Updating files of 7712142 Original log message: Adding full bibliography for 7712142.cif.	7712142.cif
280405	2023-01-18	cif/ Adding structures of 7712142 via cif-deposit CGI script.	7712142.cif