Crystallography Open Database

Information card for entry 4334427

Preview

Coordinates	4334427.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H30 Cu F6 N4 O7 S2
Calculated formula	C28 H28 Cu F6 N4 O7 S2
Title of publication	Porous Coordination Polymer Polymorphs with Different Flexible Pores Using a Structurally Flexible and Bent 1,3-Bis(4-pyridyl)propane Ligand
Authors of publication	Katsuo Fukuhara; Shin-ichiro Noro; Kunihisa Sugimoto; Tomoyuki Akutagawa; Kazuya Kubo; Takayoshi Nakamura
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	4229 - 4237
a	9.0545 ± 0.0005 Å
b	17.7259 ± 0.0007 Å
c	10.9172 ± 0.0005 Å
α	90°
β	96.954 ± 0.0016°
γ	90°
Cell volume	1739.31 ± 0.14 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	7
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for significantly intense reflections	0.0293
Weighted residual factors for all reflections included in the refinement	0.0817
Goodness-of-fit parameter for all reflections included in the refinement	1.047
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179447 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/44.	4334427.cif
100254	2014-02-04	cif/ Adding structures of 4334427 via cif-deposit CGI script.	4334427.cif