Crystallography Open Database

Information card for entry 4503748

Preview

Coordinates	4503748.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H28 N O15 P3 Zn4
Calculated formula	C27 H28 N O15 P3 Zn4
Title of publication	Mixed-Solvothermal Syntheses and Structures of Six New Zinc Phosphonocarboxylates with Zeolite-type and Pillar-Layered Frameworks
Authors of publication	Chen, Zhenxia; Zhou, Yaming; Weng, Linhong; Zhao, Dongyuan
Journal of publication	Crystal Growth & Design
Year of publication	2008
Journal volume	8
Journal issue	11
Pages of publication	4045
a	9.694 ± 0.005 Å
b	10.117 ± 0.005 Å
c	19.488 ± 0.01 Å
α	90°
β	104.04 ± 0.008°
γ	90°
Cell volume	1854.2 ± 1.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0949
Residual factor for significantly intense reflections	0.0768
Weighted residual factors for significantly intense reflections	0.1378
Weighted residual factors for all reflections included in the refinement	0.1445
Goodness-of-fit parameter for all reflections included in the refinement	1.122
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
179572 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/37.	4503748.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4503748.cif
41749	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4503748 via cif-deposit CGI script.	4503748.cif