Crystallography Open Database

Information card for entry 7127752

Preview

Coordinates	7127752.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C64 H92 F12 K2 N16 O16 P2
Calculated formula	C64 H92 F12 K2 N16 O16 P2
Title of publication	Reversible hydrogen-bonded polymerization regulated by allosteric metal templation.
Authors of publication	Xiao, Tangxin; Zhong, Weiwei; Yang, Weiwei; Qi, Lijie; Gao, Yan; Sue, Andrew C.-H.; Li, Zheng-Yi; Sun, Xiao-Qiang; Lin, Chen; Wang, Leyong
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	92
Pages of publication	14385 - 14388
a	14.5377 ± 0.0003 Å
b	16.9875 ± 0.0003 Å
c	31.4097 ± 0.0005 Å
α	90°
β	92.689 ± 0.002°
γ	90°
Cell volume	7748.4 ± 0.2 Å³
Cell temperature	159.99 ± 0.1 K
Ambient diffraction temperature	159.99 ± 0.1 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0799
Residual factor for significantly intense reflections	0.0523
Weighted residual factors for significantly intense reflections	0.1491
Weighted residual factors for all reflections included in the refinement	0.1666
Goodness-of-fit parameter for all reflections included in the refinement	1.071
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
260469 (current)	2021-01-04	cif/ Adding structures of 7127752 via cif-deposit CGI script.	7127752.cif