Crystallography Open Database

Information card for entry 1562624

Preview

Coordinates	1562624.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C79 H62 B Cl2 F4 N2 O4 Os P3
Calculated formula	C79 H62 B Cl2 F4 N2 O4 Os P3
SMILES	[Os]1234([P](c5ccccc5)(c5ccccc5)c5ccccc5)([P](c5ccccc5)(c5ccccc5)c5ccccc5)C=C([P+](c5ccccc5)(c5ccccc5)c5ccccc5)C=C4C=CC1=CC(=CC2=[CH]3c1ccc(N(=O)=O)cc1)c1ccc(N(=O)=O)cc1.ClCCl.[B](F)(F)(F)[F-]
Title of publication	NIR-responsive metal-containing polymer hydrogel for light-controlled microvalve
Authors of publication	Lin, Xusheng; Xie, Weiwei; Lin, Qin; Cai, Yuanting; Hua, Yuhui; Lin, Jianfeng; He, Guomei; Chen, Jiangxi
Journal of publication	Polymer Chemistry
Year of publication	2021
Journal volume	12
Journal issue	23
Pages of publication	3375 - 3382
a	13.0037 ± 0.0003 Å
b	13.1533 ± 0.0002 Å
c	22.7428 ± 0.0004 Å
α	99.03 ± 0.001°
β	103.602 ± 0.002°
γ	101.623 ± 0.002°
Cell volume	3617.03 ± 0.13 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	9
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0758
Residual factor for significantly intense reflections	0.068
Weighted residual factors for significantly intense reflections	0.1716
Weighted residual factors for all reflections included in the refinement	0.1825
Goodness-of-fit parameter for all reflections included in the refinement	1.046
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
267255 (current)	2021-07-05	cif/ Updating files of 1562624 Original log message: Adding full bibliography for 1562624.cif.	1562624.cif
265291	2021-05-18	cif/ Adding structures of 1562624 via cif-deposit CGI script.	1562624.cif