Crystallography Open Database

Information card for entry 4118507

Preview

Coordinates	4118507.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H11 Mn N3 O6
Calculated formula	C18 H11 Mn N3 O6
Title of publication	Modular Design of Domain Assembly in Porous Coordination Polymer Crystals via Reactivity-Directed Crystallization Process
Authors of publication	Tomohiro Fukushima; Satoshi Horike; Hirokazu Kobayashi; Masahiko Tsujimoto; Seiji Isoda; Maw Lin Foo; Yoshiki Kubota; Masaki Takata; Susumu Kitagawa
Journal of publication	Journal of the American Chemical Society
Year of publication	2012
Journal volume	134
Pages of publication	13341 - 13347
a	10.006 ± 0.002 Å
b	10.241 ± 0.002 Å
c	10.658 ± 0.002 Å
α	78.102 ± 0.008°
β	68.184 ± 0.007°
γ	81.527 ± 0.009°
Cell volume	989.1 ± 0.3 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0918
Residual factor for significantly intense reflections	0.0788
Weighted residual factors for significantly intense reflections	0.2865
Weighted residual factors for all reflections included in the refinement	0.2957
Goodness-of-fit parameter for all reflections included in the refinement	1.061
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
178956 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/85.	4118507.cif
76046	2013-03-14	cif/ Adding structures of 4118507 via cif-deposit CGI script.	4118507.cif