Crystallography Open Database

Information card for entry 7049108

Preview

Coordinates	7049108.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H21 N5 O17 P4 Zn3
Calculated formula	C16 H21 N5 O17 P4 Zn3
Title of publication	Zinc-diphosphonates with extended dipyridine units: synthesis, structures, in situ reactions, and photochromism.
Authors of publication	Liu, Hao-Hao; Ma, Yu-Juan; Han, Song-De; Li, Jin-Hua; Wang, Guo-Ming
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	12
Pages of publication	3955 - 3961
a	8.1636 ± 0.0005 Å
b	11.834 ± 0.0008 Å
c	15.8029 ± 0.0014 Å
α	70.886 ± 0.007°
β	89.23 ± 0.006°
γ	79.109 ± 0.005°
Cell volume	1414.61 ± 0.19 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0518
Residual factor for significantly intense reflections	0.0362
Weighted residual factors for significantly intense reflections	0.087
Weighted residual factors for all reflections included in the refinement	0.0937
Goodness-of-fit parameter for all reflections included in the refinement	1.06
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
224572 (current)	2019-11-08	cif/ Updating files of 7049108, 7049109 Original log message: Adding full bibliography for 7049108--7049109.cif.	7049108.cif
213777	2019-02-22	cif/ Adding structures of 7049108, 7049109 via cif-deposit CGI script.	7049108.cif