Crystallography Open Database

Information card for entry 7127726

Preview

Coordinates	7127726.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C104 H136 N4 O22 Ti4
Calculated formula	C104 H136 N4 O22 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	14.2318 ± 0.0011 Å
b	14.6532 ± 0.0012 Å
c	18.081 ± 0.0015 Å
α	103.02 ± 0.006°
β	102.821 ± 0.006°
γ	107.509 ± 0.005°
Cell volume	3328.9 ± 0.5 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1552
Residual factor for significantly intense reflections	0.0666
Weighted residual factors for significantly intense reflections	0.1571
Weighted residual factors for all reflections included in the refinement	0.1774
Goodness-of-fit parameter for all reflections included in the refinement	0.883
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.	7127726.cif