Crystallography Open Database

Information card for entry 7127731

Preview

Coordinates	7127731.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C95 H150 O27.52 Ti6
Calculated formula	C95 H150 O27.518 Ti6
Title of publication	Monocarboxylate-driven structural growth in Calix[n]arene-polyoxotitanate hybrid systems: utility in hydrogen production from water.
Authors of publication	Yang, Xin-Xue; Yu, Wei-Dong; Yi, Xiao-Yi; Li, Lei-Jiao; Liu, Chao
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	90
Pages of publication	14035 - 14038
a	15.419 ± 0.005 Å
b	19.356 ± 0.006 Å
c	20.165 ± 0.007 Å
α	84.214 ± 0.019°
β	70.821 ± 0.018°
γ	86.94 ± 0.02°
Cell volume	5654 ± 3 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.236
Residual factor for significantly intense reflections	0.1047
Weighted residual factors for significantly intense reflections	0.2495
Weighted residual factors for all reflections included in the refinement	0.2953
Goodness-of-fit parameter for all reflections included in the refinement	0.95
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
260462 (current)	2021-01-04	cif/ Adding structures of 7127725, 7127726, 7127727, 7127728, 7127729, 7127730, 7127731, 7127732, 7127733, 7127734, 7127735 via cif-deposit CGI script.	7127731.cif