Crystallography Open Database

Information card for entry 7208018

7208017 << 7208018 >> 7208019

Preview

Coordinates	7208018.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	(Zn2(dppip)2(bpy)(H2O)4)(dmf)(H2O)1.5
Formula	C41 H60 N3 O22 P2 Zn2
Calculated formula	C41 H28 N3 O21.832 P2 Zn2
Title of publication	Syntheses of metal‒organic frameworks with protected phosphonate ligands
Authors of publication	Yamada, Teppei; Kitagawa, Hiroshi
Journal of publication	CrystEngComm
Year of publication	2012
Journal volume	14
Journal issue	12
Pages of publication	4148
a	9.5545 ± 0.0012 Å
b	10.3457 ± 0.0013 Å
c	13.7876 ± 0.0017 Å
α	81.615 ± 0.001°
β	82.813 ± 0.001°
γ	70.723 ± 0.001°
Cell volume	1268.4 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.1293
Residual factor for significantly intense reflections	0.0788
Weighted residual factors for significantly intense reflections	0.1565
Weighted residual factors for all reflections included in the refinement	0.1709
Goodness-of-fit parameter for all reflections included in the refinement	1.086
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
180411 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/80.	7208018.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7208018.cif
60422	2012-06-14	cif/ Adding structures of 7208018, 7208019, 7208020, 7208021 via cif-deposit CGI script.	7208018.cif