Crystallography Open Database

Information card for entry 4334426

Preview

Coordinates	4334426.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H43 Cu F6 N5 O7 S2
Calculated formula	C38 H43 Cu F6 N5 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	13.3195 ± 0.0008 Å
b	23.2763 ± 0.0014 Å
c	13.8909 ± 0.001 Å
α	90°
β	102.493 ± 0.002°
γ	90°
Cell volume	4204.6 ± 0.5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1247
Residual factor for significantly intense reflections	0.0822
Weighted residual factors for significantly intense reflections	0.2205
Weighted residual factors for all reflections included in the refinement	0.2466
Goodness-of-fit parameter for all reflections included in the refinement	1.062
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.	4334426.cif
100253	2014-02-04	cif/ Adding structures of 4334426 via cif-deposit CGI script.	4334426.cif