Crystallography Open Database

Information card for entry 1546102

Preview

Coordinates	1546102.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	2_CID
Chemical name	Zn(P-ip)(bipy)_CID
Formula	C21 H18 N2 O5 Zn
Calculated formula	C21 H18 N2 O5 Zn
Title of publication	Linker functionalisation triggers an alternative 3D-topology for Zn-isophthalate-4,4′-bipyridine frameworks
Authors of publication	Schneemann, Andreas; Rudolf, Robin; Henke, Sebastian; Takahashi, Yukiko; Banh, Hung; Hante, Inke; Schneider, Christian; Noro, Shin-ichiro; Fischer, Roland A.
Journal of publication	Dalton Transactions
Year of publication	2017
Journal volume	46
Journal issue	25
Pages of publication	8198 - 8203
a	9.9902 ± 0.0004 Å
b	11.4259 ± 0.0004 Å
c	12.1064 ± 0.0005 Å
α	109.285 ± 0.003°
β	108.208 ± 0.004°
γ	97.69 ± 0.003°
Cell volume	1194.98 ± 0.1 Å³
Cell temperature	106.3 ± 0.5 K
Ambient diffraction temperature	106.3 ± 0.5 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	0.0332
Residual factor for significantly intense reflections	0.0309
Weighted residual factors for significantly intense reflections	0.0846
Weighted residual factors for all reflections included in the refinement	0.0864
Goodness-of-fit parameter for all reflections included in the refinement	1.086
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
282777 (current)	2023-04-20	cod/ (saulius@starta) Updating COD bibliographies for 271 COD entries identified by R.M.	1546102.cif
196925	2017-05-24	cif/ Adding structures of 1546100, 1546101, 1546102, 1546103 via cif-deposit CGI script.	1546102.cif