Crystallography Open Database

Information card for entry 7715489

Preview

Coordinates	7715489.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C217 H317 N11 O47 Zr8
Calculated formula	C188 H236 N4 O32 Zr8
Title of publication	Construction of zirconium/hafnium-oxo clusters based on a new protection-calix[8]arene.
Authors of publication	Wang, Fei-Fei; Hou, Baoshan
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	15
Pages of publication	6507 - 6514
a	20.8087 ± 0.0015 Å
b	30.081 ± 0.002 Å
c	18.0516 ± 0.0014 Å
α	90°
β	106.317 ± 0.004°
γ	90°
Cell volume	10844.2 ± 1.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.31 K
Number of distinct elements	5
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.1025
Residual factor for significantly intense reflections	0.0766
Weighted residual factors for significantly intense reflections	0.1883
Weighted residual factors for all reflections included in the refinement	0.2161
Goodness-of-fit parameter for all reflections included in the refinement	1.052
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
291651 (current)	2024-05-05	cif/ Updating files of 7715487, 7715488, 7715489, 7715490 Original log message: Adding full bibliography for 7715487--7715490.cif.	7715489.cif
290589	2024-03-22	cif/ Adding structures of 7715487, 7715488, 7715489, 7715490 via cif-deposit CGI script.	7715489.cif