Crystallography Open Database

Information card for entry 4512451

Preview

Coordinates	4512451.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C396 H270 Co9 I3 N54
Calculated formula	C396 H270 Co9 I2.97 N54
Title of publication	Thermally Robust 3-D Co-DpyDtolP-MOF with Hexagonally Oriented Micropores: Formation of Polyiodine Chains in a MOF Single Crystal
Authors of publication	Chae, Seung Hyun; Kim, Hyun-Chul; Lee, Young Sun; Huh, Seong; Kim, Sung-Jin; Kim, Youngmee; Lee, Suk Joong
Journal of publication	Crystal Growth & Design
Year of publication	2014
Pages of publication	141201145535002
a	32.425 ± 0.005 Å
b	32.425 ± 0.005 Å
c	9.34 ± 0.0019 Å
α	90°
β	90°
γ	120°
Cell volume	8504 ± 3 Å³
Cell temperature	170 ± 2 K
Ambient diffraction temperature	170 ± 2 K
Number of distinct elements	5
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.1792
Residual factor for significantly intense reflections	0.0649
Weighted residual factors for significantly intense reflections	0.1424
Weighted residual factors for all reflections included in the refinement	0.1729
Goodness-of-fit parameter for all reflections included in the refinement	0.854
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
179671 (current)	2016-03-24	cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/24.	4512451.cif
128192	2014-12-06	cif/ Adding structures of 4512451 via cif-deposit CGI script.	4512451.cif