Crystallography Open Database

Information card for entry 8104885

Preview

Coordinates	8104885.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C51 H79 O11 Y
Calculated formula	C51 H79 O11 Y
Title of publication	Crystal structure of catena-poly[diaqua-bis(μ2-2-(4-(2,4,4-trimethylpentan-2-yl)phenoxy)propanoato-κ2 O:O')-(2-(4-(2,4,4-trimethylpentan-2-yl)phenoxy)propanoato-κ2 O,O')yttrium(III)], C51H79O11Y
Authors of publication	Zhong, Ke-Xiang; Zhang, Rong-Gui; Li, Lai-Chao; Zhao, De-Sen; Wang, Yan-Liang
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2021
Journal volume	236
Journal issue	1
Pages of publication	69 - 72
a	8.8682 ± 0.0003 Å
b	22.1328 ± 0.0008 Å
c	27.9848 ± 0.001 Å
α	90°
β	96.71 ± 0.001°
γ	90°
Cell volume	5455.2 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
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	0.1039
Residual factor for significantly intense reflections	0.0495
Weighted residual factors for significantly intense reflections	0.1052
Weighted residual factors for all reflections included in the refinement	0.1275
Goodness-of-fit parameter for all reflections included in the refinement	0.999
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
274000 (current)	2022-03-25	cif/ Adding structures of 8104885 via cif-deposit CGI script.	8104885.cif