Crystallography Open Database

Information card for entry 7127730

Preview

Coordinates	7127730.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C144 H172 Br4 N8 O20 Ti4
Calculated formula	C144 H172 Br4 N8 O20 Ti4
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	26.9642 ± 0.0007 Å
b	24.087 ± 0.0007 Å
c	23.819 ± 0.0007 Å
α	90°
β	94.28 ± 0.002°
γ	90°
Cell volume	15427 ± 0.8 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1042
Residual factor for significantly intense reflections	0.0696
Weighted residual factors for significantly intense reflections	0.2038
Weighted residual factors for all reflections included in the refinement	0.2236
Goodness-of-fit parameter for all reflections included in the refinement	1.122
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.	7127730.cif