Crystallography Open Database

Information card for entry 1551034

Preview

Coordinates	1551034.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H32 B3 P Zn
Calculated formula	C24 H32 B3 P Zn
SMILES	[Zn]123([H][BH2][H]1)([H][BH2][H]2)[H][BH2][H]3.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
Title of publication	Borohydride-containing coordination polymers: synthesis, air stability and dehydrogenation
Authors of publication	Kadota, Kentaro; Duong, Nghia Tuan; Nishiyama, Yusuke; Sivaniah, Easan; Kitagawa, Susumu; Horike, Satoshi
Journal of publication	Chemical Science
Year of publication	2019
a	7.6808 ± 0.0003 Å
b	25.6538 ± 0.001 Å
c	12.9991 ± 0.0004 Å
α	90°
β	99.342 ± 0.003°
γ	90°
Cell volume	2527.39 ± 0.16 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
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	0.065
Residual factor for significantly intense reflections	0.0384
Weighted residual factors for significantly intense reflections	0.082
Weighted residual factors for all reflections included in the refinement	0.0887
Goodness-of-fit parameter for all reflections included in the refinement	1.032
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
215123 (current)	2019-05-14	cif/ Adding structures of 1551034, 1551035, 1551036, 1551037, 1551038, 1551039, 1551040, 1551041, 1551042, 1551043, 1551044 via cif-deposit CGI script.	1551034.cif