Crystallography Open Database

Information card for entry 7703381

Preview

Coordinates	7703381.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	NibpyfcdHp
Formula	C21 H22 Fe N2 Ni O5 P2
Calculated formula	C21 H22 Fe N2 Ni O5 P2
Title of publication	3D Ni and Co redox-active metal-organic frameworks based on ferrocenyl diphosphinate and 4,4'-bipyridine ligands as efficient electrocatalysts for the hydrogen evolution reaction.
Authors of publication	Khrizanforova, Vera; Shekurov, Ruslan; Miluykov, Vasily; Khrizanforov, Mikhail; Bon, Volodymyr; Kaskel, Stefan; Gubaidullin, Aidar; Sinyashin, Oleg; Budnikova, Yulia
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	9
Pages of publication	2794 - 2802
a	10.71 ± 0.002 Å
b	17.59 ± 0.004 Å
c	11.29 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	2126.9 ± 0.7 Å³
Cell temperature	263 ± 2 K
Ambient diffraction temperature	263 ± 2 K
Number of distinct elements	7
Space group number	52
Hermann-Mauguin space group symbol	P n n a
Hall space group symbol	-P 2a 2bc
Residual factor for all reflections	0.0542
Residual factor for significantly intense reflections	0.0426
Weighted residual factors for significantly intense reflections	0.1078
Weighted residual factors for all reflections included in the refinement	0.123
Goodness-of-fit parameter for all reflections included in the refinement	1.234
Diffraction radiation wavelength	0.88556 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
248980 (current)	2020-03-05	cif/ Updating files of 7703381 Original log message: Adding full bibliography for 7703381.cif.	7703381.cif
247334	2020-01-29	cif/ Adding structures of 7703381 via cif-deposit CGI script.	7703381.cif