Crystallography Open Database

Information card for entry 4514266

Preview

Coordinates	4514266.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H24 Cr2 N4 Ni O7
Calculated formula	C32 H24 Cr2 N4 Ni O7
Title of publication	Highly Selective Separation of C2H2 from CO2 by a New Dichromate-Based Hybrid Ultramicroporous Material.
Authors of publication	Scott, Hayley S.; Shivanna, Mohana; Bajpai, Alankriti; Madden, David G.; Chen, Kai-Jie; Pham, Tony; Forrest, Katherine A.; Hogan, Adam; Space, Brian; Perry Iv, John J.; Zaworotko, Michael J.
Journal of publication	ACS applied materials & interfaces
Year of publication	2017
Journal volume	9
Journal issue	39
Pages of publication	33395 - 33400
a	21.7531 ± 0.0019 Å
b	22.563 ± 0.002 Å
c	8.8918 ± 0.0007 Å
α	90°
β	112.228 ± 0.002°
γ	90°
Cell volume	4039.9 ± 0.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0794
Residual factor for significantly intense reflections	0.0715
Weighted residual factors for significantly intense reflections	0.2091
Weighted residual factors for all reflections included in the refinement	0.214
Goodness-of-fit parameter for all reflections included in the refinement	1.082
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
202558 (current)	2017-11-04	cif/ Adding structures of 4514266 via cif-deposit CGI script.	4514266.cif