Crystallography Open Database

Information card for entry 1543295

Preview

Coordinates	1543295.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H16 Cr2 Cu N8 O7
Calculated formula	C20 H16 Cr2 Cu N8 O7
Title of publication	Crystal engineering of a family of hybrid ultramicroporous materials based upon interpenetration and dichromate linkers
Authors of publication	Scott, Hayley S.; Ogiwara, Naoki; Chen, Kai-Jie; Madden, David G.; Pham, Tony; Forrest, Katherine; Space, Brian; Horike, Satoshi; Perry IV, John J.; Kitagawa, Susumu; Zaworotko, Michael J.
Journal of publication	Chem. Sci.
Year of publication	2016
Journal volume	7
Journal issue	8
Pages of publication	5470
a	8.9931 ± 0.0011 Å
b	13.0017 ± 0.0016 Å
c	13.0138 ± 0.0016 Å
α	85.457 ± 0.003°
β	79.543 ± 0.003°
γ	83.613 ± 0.003°
Cell volume	1484.4 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1107
Residual factor for significantly intense reflections	0.0632
Weighted residual factors for significantly intense reflections	0.1243
Weighted residual factors for all reflections included in the refinement	0.1375
Goodness-of-fit parameter for all reflections included in the refinement	1.018
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
185155 (current)	2016-08-07	cif/ Updating files of 1543294, 1543295, 1543296, 1543297 Original log message: Adding full bibliography for 1543294--1543297.cif.	1543295.cif
182869	2016-05-11	cif/ Adding structures of 1543294, 1543295, 1543296, 1543297 via cif-deposit CGI script.	1543295.cif