Crystallography Open Database

Information card for entry 7233983

Preview

Coordinates	7233983.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C104 H84 N8 O30 Zr6
Calculated formula	C104 H84 N8 O30 Zr6
Title of publication	Structural, thermal and topological characterization of coordination networks containing flexible aminocarboxylate ligands with a central biphenylene scaffold
Authors of publication	Balestri, Davide; Scilabra, Patrick; Carraro, Claudia; Delledonne, Andrea; Bacchi, Alessia; Mazzeo, Paolo Pio; Carlucci, Lucia; Pelagatti, Paolo
Journal of publication	CrystEngComm
Year of publication	2019
Journal volume	21
Journal issue	42
Pages of publication	6365
a	19.551 ± 0.001 Å
b	24.348 ± 0.002 Å
c	19.579 ± 0.001 Å
α	90°
β	98.16 ± 0.02°
γ	90°
Cell volume	9225.8 ± 1.1 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.3108
Residual factor for significantly intense reflections	0.1472
Weighted residual factors for significantly intense reflections	0.3325
Weighted residual factors for all reflections included in the refinement	0.4094
Goodness-of-fit parameter for all reflections included in the refinement	1.077
Diffraction radiation wavelength	0.7 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
223559 (current)	2019-11-07	cif/ Updating files of 7233980, 7233981, 7233982, 7233983 Original log message: Adding full bibliography for 7233980--7233983.cif.	7233983.cif
218562	2019-09-20	cif/ Adding structures of 7233980, 7233981, 7233982, 7233983 via cif-deposit CGI script.	7233983.cif